ChemSpider 2D Image | (3Z)-3-Tetradecene | C14H28

(3Z)-3-Tetradecene

  • Molecular FormulaC14H28
  • Average mass196.372 Da
  • Monoisotopic mass196.219101 Da
  • ChemSpider ID4515189
  • Double-bond stereo - Double-bond stereo


More details:






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

(3Z)-3-Tetradecen [German] [ACD/IUPAC Name]
(3Z)-3-Tetradecene [ACD/IUPAC Name]
(3Z)-3-Tétradécène [French] [ACD/IUPAC Name]
(3Z)-tetradec-3-ene
3-Tetradecene, (3Z)- [ACD/Index Name]
3-Tetradecene, (Z)-
41446-67-7 [RN]
(E)-tetradec-2-ene
(Z)-3-Tetradecene
(Z)-tetradec-3-ene
More...

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

5U70Z15RDF [DBID]
HSDB 5169 [DBID]
UNII:5U70Z15RDF [DBID]
UNII-5U70Z15RDF [DBID]
  • Gas Chromatography
    • Retention Index (Kovats):

      1421 (estimated with error: 39) NIST Spectra mainlib_62806
      1396 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.30 mm; Column length: 40 m; Column type: Capillary; Start T: 120 C; CAS no: 41446677; Active phase: SE-30; Carrier gas: H2; Data type: Kovats RI; Authors: Gusev, G.M.; Sokolov, V.P.; Yurov, V.V.; Kuznetsov, A.V.; Potatuev, A.A., Identification of olefins during hydrocarboxylation, Zh. Anal. Khim., 44, 1989, 551-555.) NIST Spectra nist ri
      1394 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 110 C; CAS no: 41446677; Active phase: OV-101; Carrier gas: He; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Strenze, T.; Orav, A.; Eisen, O., Retention and Thermodynamics of Solution of n-Alkenes in OV-101, J. Chromatogr., 406, 1987, 75-80.) NIST Spectra nist ri
      1384 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Capillary; Start T: 100 C; CAS no: 41446677; Active phase: Squalane; Data type: Kovats RI; Authors: Heinzen, V.E.F.; Soares, M.F.; Yunes, R.A., Semi-empirical topological method for the prediction of the chromatographic retention of cis- and trans-alkene isomers and alkanes, J. Chromatogr. A, 849, 1999, 495-506., Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Capillary; Start T: 100 C; CAS no: 41446677; Active phase: Squalane; Data type: Kovats RI; Authors: Sojak, L.; Hrivnak, J.; Majer, P.; Janak, J., Capillary Gas Chromatography of Linear Alkenes on Squalane, Anal. Chem., 45(2), 1973, 293-302.) NIST Spectra nist ri
      1383.4 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 62 m; Column type: Capillary; Start T: 74 C; CAS no: 41446677; Active phase: Squalane; Data type: Kovats RI; Authors: Sojak, L.; Kraus, G.; Farkas, P.; Ostovsky, I., Hochleistungs-gaschromatographie an flussigkristall-glaskapillaren. V. Trennung von isomeren n-tridecenen und n-tetradecenen, J. Chromatogr., 238, 1982, 51-57.) NIST Spectra nist ri
      1385 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Capillary; Start T: 130 C; CAS no: 41446677; Active phase: Squalane; Data type: Kovats RI; Authors: Sojak, L.; Hrivnak, J.; Majer, P.; Janak, J., Capillary Gas Chromatography of Linear Alkenes on Squalane, Anal. Chem., 45(2), 1973, 293-302.) NIST Spectra nist ri
      1434.5 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 100 m; Column type: Capillary; Start T: 80 C; CAS no: 41446677; Active phase: PEG-20M; Phase thickness: 0.12 um; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S., A comparison of different retention index systems with unsaturated and aromatic hydrocarbons in capillary gas chromatography on PEG 20MK, Chromatographia, 37(7/8), 1993, 411-414.) NIST Spectra nist ri
      1440.5 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 100 m; Column type: Capillary; Start T: 80 C; CAS no: 41446677; Active phase: PEG-20M; Phase thickness: 0.24 um; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S., A comparison of different retention index systems with unsaturated and aromatic hydrocarbons in capillary gas chromatography on PEG 20MK, Chromatographia, 37(7/8), 1993, 411-414.) NIST Spectra nist ri
      1442.4 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Start T: 80 C; CAS no: 41446677; Active phase: PEG-20M; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S., A comparison of different retention index systems with unsaturated and aromatic hydrocarbons in capillary gas chromatography on PEG 20MK, Chromatographia, 37(7/8), 1993, 411-414.) NIST Spectra nist ri
      1431 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 65 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1433 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1434 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 80 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1439 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 65 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208., Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1440 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113., Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 65 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208., Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1441 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1442 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 80 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1447 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 120 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1448 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 110 C; CAS no: 41446677; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208., Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 130 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1449 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 140 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1450 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column type: Capillary; Start T: 100 C; CAS no: 41446677; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary Gas Chromatography of C6-C14 n-Alkenes on Polyphenyl Ether and Polyethylene Glycol 4000, Chromatographia, 10(2), 1977, 55-64., Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 100 C; CAS no: 41446677; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208., Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 150 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1451 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 160 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1452 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column type: Capillary; Start T: 120 C; CAS no: 41446677; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S.; Kuningas, K.; Orav, A.; Eisen, O., Capillary Gas Chromatography of C6-C14 n-Alkenes on Polyphenyl Ether and Polyethylene Glycol 4000, Chromatographia, 10(2), 1977, 55-64., Program type: Isothermal; Col... (show more) umn class: Standard polar; Column type: Capillary; Start T: 120 C; CAS no: 41446677; Active phase: PEG 4000; Data type: Kovats RI; Authors: Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208.) NIST Spectra nist ri
      1427.3 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 65 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1429.1 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1430.2 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 100 m; Column type: Capillary; Start T: 65 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1431.4 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 65 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1432.4 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 100 m; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1432.7 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1439.2 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 100 m; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1439.3 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 65 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1439.6 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 65 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1439.8 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 100 m; Column type: Capillary; Start T: 65 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
      1441.4 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 70 C; CAS no: 41446677; Active phase: PEG-20M; Data type: Kovats RI; Authors: Orav, A.; Kuningas, K.; Rang, S.; Eisen, O., Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity, Eesti NSV Tead. Akad. Toim. Keem., 34(2), 1985, 105-113.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1384 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 41446677; Active phase: Polydimethyl siloxane; Data type: Normal alkane RI; Authors: Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2(1), 2003, 33-49.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.8±0.1 g/cm3
Boiling Point: 251.6±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 46.9±0.8 kJ/mol
Flash Point: 100.3±9.1 °C
Index of Refraction: 1.442
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71752.71
ACD/KOC (pH 5.5): 104085.39
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71752.71
ACD/KOC (pH 7.4): 104085.39
Polar Surface Area: 0 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 26.8±3.0 dyne/cm
Molar Volume: 253.2±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) =  7.00

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  248.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  0.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0473  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0139
       log Kow used: 7.00 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0088704 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.08E+000  atm-m3/mole
   Group Method:   7.05E+000  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  8.793E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.00  (KowWin est)
  Log Kaw used:  2.222  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.778
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8709
   Biowin2 (Non-Linear Model)     :   0.9803
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3619  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1025  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6353
   Biowin6 (MITI Non-Linear Model):   0.7768
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1543
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.9467
     BioHC Half-Life (days)     :   8.8458

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.15 Pa (0.0461 mm Hg)
  Log Koa (Koawin est  ): 4.778
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.88E-007 
       Octanol/air (Koa) model:  1.47E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.76E-005 
       Mackay model           :  3.9E-005 
       Octanol/air (Koa) model:  1.18E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  69.8575 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  77.4575 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.837 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.657 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 2.83E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.995E+004
      Log Koc:  4.300 

 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 = 3.308 (BCF = 2030)
       log Kow used: 7.00 (estimated)

 Volatilization from Water:
    Henry LC:  4.08 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.43  hours
    Half-Life from Model Lake :      133.1  hours   (5.546 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.28  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    63.65  percent
    Total to Air:               35.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.118           1.34         1000       
   Water     6.47            208          1000       
   Soil      29.9            416          1000       
   Sediment  63.5            1.87e+003    0          
     Persistence Time: 607 hr




                    

Click to predict properties on the Chemicalize site






Advertisement