ChemSpider 2D Image | Benzocaine | C20H12

Benzocaine

  • Molecular FormulaC20H12
  • Average mass252.309 Da
  • Monoisotopic mass252.093903 Da
  • ChemSpider ID2246

More details:



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Benzo[a]pyrene [ACD/Index Name]
1,2-Benzpyrene (VAN)
3,4-Benzpyrene
50-32-8 [RN]
benz[a]pyrene
Benzo(a)pyrene [Wiki]
Benzo[a]pyren
Benzo[pqr]tetraphen [German] [ACD/IUPAC Name]
Benzo[pqr]tetraphene [ACD/IUPAC Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:29865 [DBID]
12780_FLUKA [DBID]
36952_RIEDEL [DBID]
48564_SUPELCO [DBID]
AI3-02081 [DBID]
AI3-50461 [DBID]
B1760_SIGMA [DBID]
BRN 0638434 [DBID]
C07527 [DBID]
C07535 [DBID]
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  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      yellow crystals or powder [found in cigarette smoke, Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      SCU-RAT LD50 50 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      45-46-60-61-43-50/53 Alfa Aesar 15856
      45-46-60-61-43-50/53 LKT Labs [B1652]
      53-45-60-61 Alfa Aesar 15856
      9 Alfa Aesar 15856
      Danger Alfa Aesar 15856
      DANGER: Cancer risk, reproductive hazard, skin, eye irritant Alfa Aesar 15856
      H317 H340 H350 H360FD H410 LKT Labs [B1652]
      H340-H350-H360-H400-H410-H317 Alfa Aesar 15856
      IRRITANT Matrix Scientific 090402
      P261-P280-P302+P352-P321-P405-P501a Alfa Aesar 15856
      Restricted material. Only to be used bytrained workers. Prepare a full risk assessment before starting work.Safety glasses, gloves, good ventilation. Handle asa carcinogen. Do not dry sweep spills bec ause of the risk ofincreasing the amount of airborne material. Oxford University Chemical Safety Data (No longer updated) More details
      T,N LKT Labs [B1652]
      UN 3077 9/PG 3 LKT Labs [B1652]
    • Drug Status:

      experimental Microsource [00330005]
    • Compound Source:

      coal tar Microsource [00330005]
  • Gas Chromatography
    • Retention Index (Kovats):

      2535 (estimated with error: 174) NIST Spectra mainlib_229814, replib_253151, replib_107138
      2763 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.21 mm; Column length: 17.5 m; Column type: Capillary; Start T: 240 C; CAS no: 50328; Active phase: SE-30; Carrier gas: He; Data type: Kovats RI; Authors: Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A., Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases, Zh. Anal. Khim., 43, 1988, 1082-1088.) NIST Spectra nist ri
      2764 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.21 mm; Column length: 17.5 m; Column type: Capillary; Start T: 240 C; CAS no: 50328; Active phase: SE-30; Carrier gas: He; Data type: Kovats RI; Authors: Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A., Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases, Zh. Anal. Khim., 43, 1988, 1082-1088.) NIST Spectra nist ri
      2778 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.21 mm; Column length: 17.5 m; Column type: Capillary; Start T: 240 C; CAS no: 50328; Active phase: SE-30; Carrier gas: He; Data type: Kovats RI; Authors: Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A., Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases, Zh. Anal. Khim., 43, 1988, 1082-1088.) NIST Spectra nist ri
      2809 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.21 mm; Column length: 17.5 m; Column type: Capillary; Start T: 260 C; CAS no: 50328; Active phase: SE-30; Carrier gas: He; Data type: Kovats RI; Authors: Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A., Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases, Zh. Anal. Khim., 43, 1988, 1082-1088.) NIST Spectra nist ri
      2813 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.21 mm; Column length: 17.5 m; Column type: Capillary; Start T: 260 C; CAS no: 50328; Active phase: SE-30; Carrier gas: He; Data type: Kovats RI; Authors: Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A., Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases, Zh. Anal. Khim., 43, 1988, 1082-1088.) NIST Spectra nist ri
      2817 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.21 mm; Column length: 17.5 m; Column type: Capillary; Start T: 260 C; CAS no: 50328; Active phase: SE-30; Carrier gas: He; Data type: Kovats RI; Authors: Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A., Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases, Zh. Anal. Khim., 43, 1988, 1082-1088.) NIST Spectra nist ri
      2828 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.21 mm; Column length: 17.5 m; Column type: Capillary; Start T: 260 C; CAS no: 50328; Active phase: SE-30; Carrier gas: He; Data type: Kovats RI; Authors: Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A., Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases, Zh. Anal. Khim., 43, 1988, 1082-1088., Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.50 mm; Column length: 50 m; Column type: Capillary; Start T: 270 C; CAS no: 50328; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Grimmer, G.; Bohnke, H., Bestimmung des Gesamtgehaltes aller polycyclischen aromatischen Kohlenwasserstoffe in Luftstaub und Kraftfahrzeugabgas mit der Capillar-Gas-Chromatographie, Z. Anal. Chem., 261, 1972, 310-314.) NIST Spectra nist ri
      2822 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 250 C; CAS no: 50328; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Rudenko, B.A.; Bulychova, Z.Yu.; Topunov, V.N.; Itsikson, L.B., Regularities in changes of retention indices for polycyclic aromatic hydrocarbons depending on their structure and polarity of stationary phase, Zh. Anal. Khim., 39(4), 1984, 700-706.) NIST Spectra nist ri
    • Retention Index (Lee):

      451.8 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: OV-101; Data type: Lee RI; Authors: Tucminen, A.; Wickstrom, K.; Pyysalo, H., Determination of Polycyclic Aromatic Compounds by GLC-Selected Ion Monitoring (SIM) Technique, J. Hi. Res. Chromatogr. & Chromatogr. Comm., , 1986, 469-471.) NIST Spectra nist ri
      451.2 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Packed; Heat rate: 2 K/min; Start T: 100 C; End T: 275 C; CAS no: 50328; Active phase: Methyl Silicone; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      453.4 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 50328; Active phase: DB-5; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Lundstedt, S.; Haglund, P.; Oberg, L., Degradation and formation of polycyclic aromatic compounds during bioslurry treatment of an aged gasworks soil, Environ. Toxicol. Chem., 22(7), 2003, 1413-1420., Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; Start T: 200 C; CAS no: 50328; Active phase: Methyl Silicone; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 60 C; End T: 290 C; CAS no: 50328; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.1 um; Data type: Lee RI; Authors: Quilliam, M.A.; Lant, M.S.; Kaiser-Farrell, C.; McCalla, D.R.; Sheldrake, C.P.; Kerr, A.A.; Lockington, J.N.; Gibson, E.S., Identification of polycyclic aromatic compounds in of poly-mutagenic emissions from steel casting, Biomed. Mass Spectrom., 12(4), 1985, 143-150., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 8 K/min; Start T: 80 C; End T: 300 C; End time: 10 min; Start time: 2 min; CAS no: 50328; Active phase: 5 % Phenyl methyl siloxane; Data type: Lee RI; Authors: Skrbic, B.; Onjia, A., Prediction of Lee Retention Indices of Polycyclic Aromatic Hydrocarbons by Artificial Neural Networks, J. Chromatorg. A, 1108(2), 2006, 279-284.) NIST Spectra nist ri
      453.9 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; Start T: 270 C; CAS no: 50328; Active phase: Methyl Silicone; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      454.7 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; Start T: 260 C; CAS no: 50328; Active phase: Methyl Silicone; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      455.4 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; Start T: 300 C; CAS no: 50328; Active phase: Methyl Silicone; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      453 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.5 mm; Column length: 100 m; Column type: Capillary; CAS no: 50328; Active phase: OV-101; Carrier gas: N2; Data type: Lee RI; Authors: Grimmer. G.; Bohnke, H.; Glaser, A., Polyscyclische aromatische Kohlen-wasserstoffe im Abgas von Kraftfahrzeugen, Erdol und Kohle., 30(9), 1977, 411-417.) NIST Spectra nist ri
      453.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; CAS no: 50328; Active phase: SE-30; Substrate: Chromosorb W; Data type: Lee RI; Authors: Wilmshurst, J.R., Gas-chromatographic analysis of polynuclear arenes, J. Chromatogr., 17, 1965, 50-59.) NIST Spectra nist ri
      440.7 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column length: 60 m; Column type: Capillary; CAS no: 50328; Active phase: DB-5; Data type: Lee RI; Authors: Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I., Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants, J. Anal. Appl. Pyrolysis, 79, 2007, 215-226.) NIST Spectra nist ri
      453.7 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.18 mm; Column length: 20 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 50 C; End T: 345 C; Start time: 1.5 min; CAS no: 50328; Active phase: PE-5; Phase thickness: 0.18 um; Data type: Lee RI; Authors: Jamoussi, B.; Kanzari, F.; Hassine, B.B.; Abderrabba, A., Using Bezier curves for the calculation of retention indices of polycyclic aromatic hydrocarbons in the so-called Lee's scale in temperature-programmed gas chromatography with mass spectrometry detection, J. Chromatogr. Sci., 45, 2007, 22-27.) NIST Spectra nist ri
      455.14 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 60C(2min) =>6C/min =>258C=>2C/min =>300C(4min); CAS no: 50328; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Wang, Z.; Li, K.; Lambert, P.; Yang, C., Identification, characterization and quantitation of pyrogenic polycylic aromatic hydrocarbons and other organic compounds in tire fire products, J. Chromatogr. A, 1139, 2007, 14-26., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 50328; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Wang, Z.; Li, K.; Lambert, P.; Brown, C.E.; Yang, C.; Hollebone, B.P., Identification and characterization of polycyclic aromatic compounds in tire fire products and differentiation of pyrogenic PAHs from petrogenic PAHs, in Proceedings of the 30th Arctic and Marine Oilspill (AMOP) Technical Seminar. Vol.1, 2007, 61-85.) NIST Spectra nist ri
      454.02 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 50328; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Wang, Z.; Li, K.; Lambert, P.; Brown, C.E.; Yang, C.; Hollebone, B.P., Identification and characterization of polycyclic aromatic compounds in tire fire products and differentiation of pyrogenic PAHs from petrogenic PAHs, in Proceedings of the 30th Arctic and Marine Oilspill (AMOP) Technical Seminar. Vol.1, 2007, 61-85., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shaogang, C.; Xiaobai, X., System for calculating the linear temperature-programmed retention indices of polycylic aromatic compounds, J. Hi. Res. Chromatogr., 17, 1994, 339-342., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.3 mm; Column length: 25 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 270 C; Start time: 2 min; CAS no: 50328; Active phase: DB-5; Carrier gas: He; Data type: Lee RI; Authors: Williams, P.T.; Horne, P.A., Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass, J. Anal. Appl. Pyrolysis, 31, 1995, 15-37., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.30 mm; Column length: 20 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 265 C; Start time: 2 min; CAS no: 50328; Active phase: SE-52; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L., Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices, J. Chromatogr., 252, 1982, 1-20.) NIST Spectra nist ri
      454.57 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 50328; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Wang, Z.; Li, K.; Lambert, P.; Brown, C.E.; Yang, C.; Hollebone, B.P., Identification and characterization of polycyclic aromatic compounds in tire fire products and differentiation of pyrogenic PAHs from petrogenic PAHs, in Proceedings of the 30th Arctic and Marine Oilspill (AMOP) Technical Seminar. Vol.1, 2007, 61-85., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 280 C; End time: 5 min; Start time: 2 min; CAS no: 50328; Active phase: DB-5; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Wise, S.A.; Benner, B.A.; Byrd, G.D.; Chesler, S.N.; Rebbert, R.E.; Schantz, M.M., Determination of polycyclic aromatic hydrocarbons in a coal tar standard reference material, Anal. Chem., 60, 1988, 887-894., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 35 C; End T: 300 C; CAS no: 50328; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Marynowski, L.; Pieta, M.; Janeczek, J., Composition and source of polycyclic aromatic compounds in deposited dust from selected sites around the Upper Silesia, Poland, Geol. Q., 48(2), 2004, 169-180.) NIST Spectra nist ri
      453.44 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 50328; Active phase: SE-54; Data type: Lee RI; Authors: Chen, J., GC and GC/MS methods for the analysis of polycyclic aromatic hydrocarbon (PAH) in sediment of the grand canal of China, Toxicol. Environ. Chem., 54, 1996, 69-73., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.3 mm; Column length: 12 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 50 C; End T: 250 C; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Phase thickness: 0.34 um; Data type: Lee RI; Authors: Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M., Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons, Anal. Chem., 51(6), 1979, 768-773., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 2 K/min; Start T: 50 C; End T: 250 C; CAS no: 50328; Active phase: 5 % Phenyl methyl siloxane; Data type: Lee RI; Authors: Skrbic, B.; Onjia, A., Prediction of Lee Retention Indices of Polycyclic Aromatic Hydrocarbons by Artificial Neural Networks, J. Chromatorg. A, 1108(2), 2006, 279-284.) NIST Spectra nist ri
      454.3 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column type: Capillary; Description: 70 0C (2 min) ^ 30 0C/min -> 150 0C ^ 5 0C/min -> 200 0C ^ 4 0C/min -> 310 0C (5 min); CAS no: 50328; Active phase: 5 % Phenyl methyl siloxane; Data type: Lee RI; Authors: Skrbic, B.; Onjia, A., Prediction of Lee Retention Indices of Polycyclic Aromatic Hydrocarbons by Artificial Neural Networks, J. Chromatorg. A, 1108(2), 2006, 279-284., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 60 C; End T: 280 C; CAS no: 50328; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.125 um; Data type: Lee RI; Authors: Aceves, M.; Grimalt, J.O., Gas chromatographic screening of organic compounds in urban aerosols. Selectivity effects in semi-polar columns, J. Chromatogr., 607, 1992, 261-270.) NIST Spectra nist ri
      446.2 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; CAS no: 50328; Active phase: DB-5MS; Data type: Lee RI; Authors: Aracil, I.; Font, R.; Conesa, J.A., Semivolatile and volatile compounds from the pyrolysis and combustion of polyvinyl chloride, J. Anal. Appl. Pyrolysis, 74, 2005, 465-478.) NIST Spectra nist ri
      454.87 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 310 C; End time: 10 min; Start time: 1.5 min; CAS no: 50328; Active phase: HP-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R., Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds., Environ. Sci. Technol., 39(24), 2005, 9547-9560.) NIST Spectra nist ri
      451.34 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 60C(2min) =>15C/min =>180C =>5C/min =>280C (10min); CAS no: 50328; Active phase: LM-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Re-Poppi, N.; Santiago-Silva, M., Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil, Atmos. Environ., 39, 2005, 2839-2850.) NIST Spectra nist ri
      451.59 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 60C(2min) =>15C/min =>180C =>5C/min =>280C (10min); CAS no: 50328; Active phase: LM-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Re-Poppi, N.; Santiago-Silva, M., Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil, Atmos. Environ., 39, 2005, 2839-2850., Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 60C(2min)=>15C/min=>180C=>5C/min=>280C(5min); CAS no: 50328; Active phase: LM-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Re-Poppi, N.; Santiago-Silva, M.R., Identification of polycyclic aromatic hydrocarbons and methoxylated phenols in wood smoke emitted during production of charcoal, Chromatographia, 55(7/8), 2002, 475-481.) NIST Spectra nist ri
      454.06 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 310 C; Start time: 1 min; CAS no: 50328; Active phase: DB-5MS; Phase thickness: 0.5 um; Data type: Lee RI; Authors: Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental Science&Engineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11.) NIST Spectra nist ri
      451.92 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 60C(2min)=>15C/min=>180C=>5C/min=>280C(5min); CAS no: 50328; Active phase: LM-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Re-Poppi, N.; Santiago-Silva, M.R., Identification of polycyclic aromatic hydrocarbons and methoxylated phenols in wood smoke emitted during production of charcoal, Chromatographia, 55(7/8), 2002, 475-481.) NIST Spectra nist ri
      451.88 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 60 C; End T: 300 C; End time: 12.5 min; Start time: 1.5 min; CAS no: 50328; Active phase: PTE-5; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Wang, J.; Jia, C.R.; Wong, C.K.; Wong, P.K., Characterization of polycyclic aromatic hydrocarbons created in lubricating oils, Water Air Soil Poll., 120, 2000, 381-396.) NIST Spectra nist ri
      446.9 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Data type: Lee RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      446.94 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Data type: Lee RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      447 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Data type: Lee RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      447.05 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Data type: Lee RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      447.06 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Data type: Lee RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      447.13 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Data type: Lee RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      447.44 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Data type: Lee RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      447.45 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Data type: Lee RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      452.99 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 280 C; End time: 20 min; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Piao, M.; Chu, S.; Zheng, M.; Xu, X., Characterization of the combustion products of polyethylene, Chemosphere, 39(9), 1999, 1497-1512.) NIST Spectra nist ri
      453.05 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 280 C; End time: 20 min; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Piao, M.; Chu, S.; Zheng, M.; Xu, X., Characterization of the combustion products of polyethylene, Chemosphere, 39(9), 1999, 1497-1512., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      454.75 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min); CAS no: 50328; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W., Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry, Chromatographia, 46(11/12), 1997, 655-663.) NIST Spectra nist ri
      455.33 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min); CAS no: 50328; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W., Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry, Chromatographia, 46(11/12), 1997, 655-663.) NIST Spectra nist ri
      454.18 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 300 C; CAS no: 50328; Active phase: SE-54; Data type: Lee RI; Authors: Chen, J., GC and GC/MS methods for the analysis of polycyclic aromatic hydrocarbon (PAH) in sediment of the grand canal of China, Toxicol. Environ. Chem., 54, 1996, 69-73.) NIST Spectra nist ri
      455.41 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 300 C; End time: 20 min; Start time: 2 min; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shaogang, C.; Xiaobai, X., System for calculating the linear temperature-programmed retention indices of polycylic aromatic compounds, J. Hi. Res. Chromatogr., 17, 1994, 339-342.) NIST Spectra nist ri
      440.3 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 40 C; End T: 285 C; End time: 29.5 min; Start time: 3 min; CAS no: 50328; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F., Application of gas chromatographic retention properties to the identification of environmental contaminants, J. Chromatogr., 642, 1993, 409-415.) NIST Spectra nist ri
      455.8 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 40 C; End T: 300 C; Start time: 2 min; CAS no: 50328; Active phase: SPB-5; Data type: Lee RI; Authors: Knobloch, T.; Engewald, W., Identification of some polar polycyclic compounds in emissions from brown-coal-fired residential stoves, J. Hi. Res. Chromatogr., 16, 1993, 239-242.) NIST Spectra nist ri
      451 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 60 C; End T: 280 C; CAS no: 50328; Active phase: CP Sil 8 CB; Carrier gas: He; Phase thickness: 00.13 um; Data type: Lee RI; Authors: Aceves, M.; Grimalt, J.O., Gas chromatographic screening of organic compounds in urban aerosols. Selectivity effects in semi-polar columns, J. Chromatogr., 607, 1992, 261-270.) NIST Spectra nist ri
      452.3 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 60 C; End T: 280 C; CAS no: 50328; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.2 um; Data type: Lee RI; Authors: Aceves, M.; Grimalt, J.O., Gas chromatographic screening of organic compounds in urban aerosols. Selectivity effects in semi-polar columns, J. Chromatogr., 607, 1992, 261-270.) NIST Spectra nist ri
      454.5 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.2 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 60 C; End T: 280 C; CAS no: 50328; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.11 um; Data type: Lee RI; Authors: Aceves, M.; Grimalt, J.O., Gas chromatographic screening of organic compounds in urban aerosols. Selectivity effects in semi-polar columns, J. Chromatogr., 607, 1992, 261-270.) NIST Spectra nist ri
      456.4 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 60 C; End T: 280 C; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Phase thickness: 0.125 um; Data type: Lee RI; Authors: Aceves, M.; Grimalt, J.O., Gas chromatographic screening of organic compounds in urban aerosols. Selectivity effects in semi-polar columns, J. Chromatogr., 607, 1992, 261-270.) NIST Spectra nist ri
      453.74 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Description: 140C (2min) =>(rapidly)=>200C(2min)=>5C/min =>370C; CAS no: 50328; Active phase: CP Sil 8 CB; Data type: Lee RI; Authors: Bemgard, A.; Colmsjo, A.; Lundmark, B.-O., Gas chromatographic analysis of high-molecular-weight polynuclear aromatic hydrocarbons. I. Molecular weight 328, J. Chromatogr., 595, 1992, 247-258.) NIST Spectra nist ri
      454.38 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.28 mm; Column length: 15 m; Column type: Capillary; Description: 140C (2min) =>(rapidly)=>200C(2min)=>5C/min =>370C; CAS no: 50328; Active phase: XTI-5; Data type: Lee RI; Authors: Bemgard, A.; Colmsjo, A.; Lundmark, B.-O., Gas chromatographic analysis of high-molecular-weight polynuclear aromatic hydrocarbons. I. Molecular weight 328, J. Chromatogr., 595, 1992, 247-258.) NIST Spectra nist ri
      452.95 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: SE-54; Data type: Lee RI; Authors: Guillen, M.D.; Iglesias, M.J.; Dominguez, A.; Blanco, C.G., Polynuclear aromatic hydrocarbon retention indices on SE-54 stationary phase of the volatile components of a coal tar pitch. Relationships between chromatographic retention and thermal reactivity, J. Chromatogr., 591, 1992, 287-295.) NIST Spectra nist ri
      454.33 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column type: Capillary; Description: 70C(2min) => 30C/min =>150C =>5C/min =>200C =>4C/min =>310C; CAS no: 50328; Active phase: DB-5; Carrier gas: He; Data type: Lee RI; Authors: Takada, H.; Onda, T.; Ogura, N., Determination of polycyclic aromatic hydrocarbons in urban street dusts and their source materials by capillary gas chromatography, Environ. Sci. Technol., 24(8), 1990, 1179-1186.) NIST Spectra nist ri
      454.55 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.22 mm; Column length: 20 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 300 C; CAS no: 50328; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.20 um; Data type: Lee RI; Authors: Guillen, M.D.; Blanco, J.; Bermejo, J.; Blanco, C.G., Temperature programmed retention indices of some PAHs on Capillary columns coated with OV-1701 and SE-54, J. Hi. Res. Chromatogr., 12, 1989, 552-554.) NIST Spectra nist ri
      453.62 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 130 C; End T: 260 C; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Hasegawa, K.; Muragishi, T.; Usami, S., Component analysis of coal-derivated heavy oil. Analysis of carcinogenic components in neutral nonpolar fractions, Nippon Kagaku Kaishi, 3, 1988, 311-320.) NIST Spectra nist ri
      453.36 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 80 C; End T: 290 C; Start time: 1 min; CAS no: 50328; Active phase: DB-5; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Sye, W.-F.; Lin, C.-L.; Yen, D.-P.; Tsai, C.-S., Polycyclic aromatic-hydrocarbons formation from luel and additives combustion, J. Chinese Chem. Soc., 35(1), 1988, 1-11.) NIST Spectra nist ri
      448.69 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.26 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 300 C; End time: 20 min; Start time: 4 min; CAS no: 50328; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 9, 1986, 328-334.) NIST Spectra nist ri
      453.22 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 50328; Active phase: DB-5; Carrier gas: He; Data type: Lee RI; Authors: Tong, H.Y.; Centen, J.D.; Karasek, F.W.; Jellum, E.; Helland, P., Identification of Trace Organic Compounds in Dimethyl Sulphoxide Solution Using High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectrometry, J. Chromatogr., 324, 1985, 373-383.) NIST Spectra nist ri
      454.42 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 90 C; End T: 325 C; CAS no: 50328; Active phase: DB-5; Carrier gas: He; Data type: Lee RI; Authors: Tong, H.Y.; Centen, J.D.; Karasek, F.W.; Jellum, E.; Helland, P., Identification of Trace Organic Compounds in Dimethyl Sulphoxide Solution Using High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectrometry, J. Chromatogr., 324, 1985, 373-383.) NIST Spectra nist ri
      441.53 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      451.08 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      452.46 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      452.56 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      453.15 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
      454.41 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 50328; Active phase: SE-52; Data type: Lee RI; Authors: Shlyakhov, A.F., Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      2830 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 300 C; End time: 35 min; CAS no: 50328; Active phase: Ultra-1; Carrier gas: H2; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Elizalde-Gonzalez, M.P.; Hutfliess, M.; Hedden, K., Retention index system, adsorption characteristics, and sructure correlations of polycyclic aromatic hydrocarbons in fuels, J. Hi. Res. Chromatogr., 19, 1996, 345-352.) NIST Spectra nist ri
      2786.2 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 1.1 m; Column type: Packed; Heat rate: 8.5 K/min; Start T: 50 C; End T: 300 C; CAS no: 50328; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb W HP; Data type: Normal alkane RI; Authors: Saxton, W.L., Emergence temperature indices and relative retention times of pesticides and industrial chemicals determined by linear programmed temperature gas chromatography, J. Chromatogr., 393, 1987, 175-194.) NIST Spectra nist ri
      2808.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.5 mm; Column length: 100 m; Column type: Capillary; CAS no: 50328; Active phase: OV-101; Carrier gas: N2; Data type: Normal alkane RI; Authors: Grimmer. G.; Bohnke, H.; Glaser, A., Polyscyclische aromatische Kohlen-wasserstoffe im Abgas von Kraftfahrzeugen, Erdol und Kohle., 30(9), 1977, 411-417.) NIST Spectra nist ri
      2829.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; CAS no: 50328; Active phase: SE-30; Substrate: Chromosorb W; Data type: Normal alkane RI; Authors: Wilmshurst, J.R., Gas-chromatographic analysis of polynuclear arenes, J. Chromatogr., 17, 1965, 50-59.) NIST Spectra nist ri
      2808.7 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C(2min) =>3C/min =>175C (4min) => 3C/min => 240C => 7C/min=>320C(10min); CAS no: 50328; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Lacorte, S.; Guiffard, I.; Fraisse, D.; Barcelo, D., Broad spectrum analysis of 109 priority compounds listed in the 76/464/CEE council directive using solid-phase extraction and GC/EI/MS, Anal. Chem., 72, 2000, 1430-1440.) NIST Spectra nist ri
      2838 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      2839 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      2849 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 310 C; Start time: 2 min; CAS no: 50328; Active phase: HP-5; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 15(4), 1999, 288-292.) NIST Spectra nist ri
      2788.6 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min); CAS no: 50328; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W., Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry, Chromatographia, 46(11/12), 1997, 655-663.) NIST Spectra nist ri
    • Retention Index (Linear):

      2798 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 60C=>7C/min=>225C=>15C/min=>300C(11.43min); CAS no: 50328; Active phase: HP-1; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Dimitriou-Christidis, P.; Harris, B.C.; McDonald, T.J.; Reese, E.; Autenrieth, R.L., Estimation of selected physicochemical properties for methylated naphthalene compounds, Chemosphere, 52, 2003, 869-881.) NIST Spectra nist ri
      2809.2 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.21 mm; Column length: 17.5 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 100 C; End T: 280 C; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Data type: Linear RI; Authors: Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A., Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases, Zh. Anal. Khim., 43, 1988, 1082-1088.) NIST Spectra nist ri
      2766 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.50 mm; Column length: 16.6 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 320 C; Start time: 5 min; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Data type: Linear RI; Authors: Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 173, 1979, 109-118.) NIST Spectra nist ri
      2769 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.50 mm; Column length: 16.6 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 320 C; Start time: 5 min; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Data type: Linear RI; Authors: Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 173, 1979, 109-118.) NIST Spectra nist ri
      2778 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.50 mm; Column length: 33.3 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 320 C; Start time: 5 min; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Data type: Linear RI; Authors: Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 173, 1979, 109-118.) NIST Spectra nist ri
      2790 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.50 mm; Column length: 16.6 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 320 C; Start time: 5 min; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Data type: Linear RI; Authors: Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 173, 1979, 109-118.) NIST Spectra nist ri
      2800 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.50 mm; Column length: 16.6 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 320 C; Start time: 5 min; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Data type: Linear RI; Authors: Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 173, 1979, 109-118.) NIST Spectra nist ri
      2812 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.50 mm; Column length: 16.6 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 320 C; Start time: 5 min; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Data type: Linear RI; Authors: Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 173, 1979, 109-118.) NIST Spectra nist ri
      2823 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.50 mm; Column length: 16.6 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 320 C; Start time: 5 min; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Data type: Linear RI; Authors: Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 173, 1979, 109-118.) NIST Spectra nist ri
      2824 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.50 mm; Column length: 16.6 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 320 C; Start time: 5 min; CAS no: 50328; Active phase: SE-52; Carrier gas: He; Data type: Linear RI; Authors: Beernaert, H., Gas Chromatographic Analysis of Polyclylic Aromatic Hydrocarbons, J. Chromatogr., 173, 1979, 109-118.) NIST Spectra nist ri
      2773 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.3 mm; Column length: 65 m; Column type: Capillary; Heat rate: 1.8 K/min; Start T: 100 C; End T: 300 C; CAS no: 50328; Active phase: SE-52; Carrier gas: N2; Data type: Linear RI; Authors: Carugno, N.; Rossi, S., Evaluation of polynuclear hydrocarbons in cigarette smoke by glass capillary columns, J. Gas Chromatogr., , 1967, 103-106.) NIST Spectra nist ri
      2760 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.3 mm; Column length: 65 m; Column type: Capillary; Heat rate: 1.8 K/min; Start T: 100 C; End T: 300 C; CAS no: 50328; Active phase: SE-52; Carrier gas: N2; Data type: Linear RI; Authors: Carugno, N.; Rossi, S., Evaluation of polynuclear hydrocarbons in cigarette smoke by glass capillary columns, J. Gas Chromatogr., , 1967, 103-106.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 495.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 73.4±0.8 kJ/mol
Flash Point: 228.6±13.7 °C
Index of Refraction: 1.887
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37659.07
ACD/KOC (pH 5.5): 65613.15
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37659.07
ACD/KOC (pH 7.4): 65613.15
Polar Surface Area: 0 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 196.1±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.99

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  377.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  133.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.44E-006  (Modified Grain method)
    Subcooled liquid VP: 2.99E-005 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1743
       log Kow used: 5.99 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.013285 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.59E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.648E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.99  (KowWin est)
  Log Kaw used:  -1.833  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.823
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6274
   Biowin2 (Non-Linear Model)     :   0.3603
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6416  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4837  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0501
   Biowin6 (MITI Non-Linear Model):   0.0176
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2073
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.7996
     BioHC Half-Life (days)     :  63.0327

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00399 Pa (2.99E-005 mm Hg)
  Log Koa (Koawin est  ): 7.823
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000753 
       Octanol/air (Koa) model:  1.63E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0265 
       Mackay model           :  0.0568 
       Octanol/air (Koa) model:  0.0013 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 384.7934 E-12 cm3/molecule-sec
      Half-Life =     0.028 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.014 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.424999 E-17 cm3/molecule-sec
      Half-Life =     0.056 Days (at 7E11 mol/cm3)
      Half-Life =      1.347 Hrs
   Fraction sorbed to airborne particulates (phi): 0.0416 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.535E+005
      Log Koc:  5.404 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.916 (BCF = 8244)
       log Kow used: 5.99 (estimated)

 Volatilization from Water:
    Henry LC:  0.000359 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.211  hours
    Half-Life from Model Lake :      179.1  hours   (7.464 days)

 Removal In Wastewater Treatment:
    Total removal:              92.17  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    91.08  percent
    Total to Air:                0.33  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0124          0.446        1000       
   Water     3.79            900          1000       
   Soil      41.3            1.8e+003     1000       
   Sediment  54.9            8.1e+003     0          
     Persistence Time: 2.1e+003 hr




                    

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