ChemSpider 2D Image | 13-Methylnonacosane | C30H62

13-Methylnonacosane

  • Molecular FormulaC30H62
  • Average mass422.813 Da
  • Monoisotopic mass422.485138 Da
  • ChemSpider ID20035430

More details:

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

(S)-13-methyl-nonacosane
13-Methylnonacosan [German] [ACD/IUPAC Name]
13-Methylnonacosane [ACD/IUPAC Name]
13-Méthylnonacosane [French] [ACD/IUPAC Name]
17-methyl-nonacosane
Nonacosane, 13-methyl- [ACD/Index Name]
7371-98-4 [RN]

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

  • Gas Chromatography

    • Retention Index (Normal Alkane):

      2934.3 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 100 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 30 C; End T: 310 C; End time: 5 min; CAS no: 7371984; Active phase: OV-1; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Krkosova, Z.; Kubinec, R.; Addova, G.; Jurdakova, H.; Blasko, J.; Ostrovsky, I.; Sojak, L., Gas chromatographic - mass spectrometric characterization of monomethylalkanes from fuel diesel, Petroleum & Coal, 49(3), 2007, 51-62.) NIST Spectra nist ri
      2933 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.2 mm; Column length: 12.5 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 150 C; End T: 320 C; CAS no: 7371984; Active phase: Ultra-1; Carrier gas: He; Data type: Normal alkane RI; Authors: Nelson, D.R.; Charlet, L.D., Cuticular hydrocarbons of the sunflower beetle,Zygogramma exclamationis, Comp. Biochem. Physiol. B: Comp. Biochem., 135, 2003, 273-284., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.22 mm; Column length: 12 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 100 C; End T: 300 C; CAS no: 7371984; Active phase: BP-1; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Lockey, K.H.; Oraha, V.S., Cuticular lipids of adult Locusta Migratoria Migratoriodes (R and F), Schstocerca Gregaria (Forskal) (Acrididae) and other orthopteran species - II. Hydrocarbons, Comp. Biochem. Physiol., 95B(4), 1990, 721-744., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 1.5 K/min; Start T: 160 C; End T: 300 C; CAS no: 7371984; Active phase: BP-1; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Lockey, K.H.; Dularay, B., Cuticular methylalkanes of adult cockroaches, Blatta orientalis and Periplaneta Americana, Comp. Biochem. Physiol., 85B(3), 1986, 567-572.) NIST Spectra nist ri
      2930 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column length: 50 ft; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 370 C; CAS no: 7371984; Active phase: Dexsil 300; Data type: Normal alkane RI; Authors: Lockey, K.H., The adult cuticular hydrocarbons of Tenebrio Molitor L. and Tenebrio Obscurus F. (Coleoptera: Tenebrionidae), Insect Biochem., 8, 1978, 237-250., Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 7371984; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Sullivan, B.T., Evidence for a sex pheromone in bark beetle parasitoid Roptrpcerus xylophagorum, J. Chem. Ecology, 28(5), 2002, 1045-1063.) NIST Spectra nist ri
      2935 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 60C (2min) => 10C/min => 220C => 3C/min => 310C (12 - 42 min); CAS no: 7371984; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Carlson, D.A.; Geden, C.J.; Bernier, U.R., Identification of pupal exiviae of Nasania vitripennis and Muscidifurax raptorellus parasitoids using cuticular hydrocarbons, Biol. Control, 15, 1999, 97-106.) NIST Spectra nist ri
      2932 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Description: 50C=> 20C/min => 130C =>4C/min => 300C (20min); CAS no: 7371984; Active phase: CP Sil 5 CB; Carrier gas: He; Phase thickness: 0.2 um; Data type: Normal alkane RI; Authors: Kenig, F.; Sinninghe Damste, J.S.; Kock-van Dalen, A.C.; Rijpstra, W.I.C.; Huc, A.Y.; de Leeuw, J.W., Occurrence and origin of mono-, di-, and trimethylalkanes in modern and holocene cyanobacterial mats from Abu Dhabi, United Arab Emirates, Geochim. Cosmochim. Acta, 59(14), 1995, 2999-3015.) NIST Spectra nist ri
      2936 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 1.5 K/min; Start T: 160 C; End T: 300 C; CAS no: 7371984; Active phase: BP-1; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Lockey, K.H.; Dularay, B., Cuticular methylalkanes of adult cockroaches, Blatta orientalis and Periplaneta Americana, Comp. Biochem. Physiol., 85B(3), 1986, 567-572.) NIST Spectra nist ri
      2931 (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: 200 C; End T: 280 C; CAS no: 7371984; Active phase: DB-5; Carrier gas: He; Data type: Normal alkane RI; Authors: Juarez, P.; Blomquist, G.J.; Schofield, C.J., Hydrocarbons of Rhodnius prolixus, a Chagas disease vector, Comp. Biochem. Physiol. B: Comp. Biochem., 129, 2001, 733-746.) NIST Spectra nist ri
      2924 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 7371984; Active phase: Apiezon; Data type: Normal alkane RI; Authors: Petrov, A.A., Hydrocarbons of petroleum, Nauka (publishing house), Moscow, 1984, 263.) NIST Spectra nist ri
      2927 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column length: 50 ft; Column type: Capillary; Description: 50 0C ^ 5 0C/min -> 200 0C ^ 2 0C/min -> 340 0C; CAS no: 7371984; Active phase: Dexsil 300; Data type: Normal alkane RI; Authors: Lockey, K.H., Cuticular hydrocarbons of adult Cylindrinotus laevioctostriatus (Goeze) and Phylan gibbus (Fabricius) (Coleoptera: Tenebrionidae), Insect. Biochem., 11(5), 1981, 549-561.) NIST Spectra nist ri
      2942 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column length: 50 ft; Column type: Capillary; Description: 50 0C ^ 5 0C/min -> 200 0C ^ 2 0C/min -> 340 0C; CAS no: 7371984; Active phase: Dexsil 300; Data type: Normal alkane RI; Authors: Lockey, K.H., Cuticular hydrocarbons of adult Cylindrinotus laevioctostriatus (Goeze) and Phylan gibbus (Fabricius) (Coleoptera: Tenebrionidae), Insect. Biochem., 11(5), 1981, 549-561.) NIST Spectra nist ri
      2929 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column length: 50 ft; Column type: Capillary; Heat rate: 2 K/min; Start T: 240 C; End T: 330 C; CAS no: 7371984; Active phase: Dexsil 300; Data type: Normal alkane RI; Authors: Lockey, K.H., Hydrocarbons of adult Tribolum castaneum Hbst. and Tribolium confusum duv. (Coleoptera: Tenebrionidae), Comparative Biochem. Physiol., 61B, 1978, 401-407.) NIST Spectra nist ri

    • Retention Index (Linear):

      2935 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 60C (2min) =>10C/min =>220C =>3C/min =>310C; CAS no: 7371984; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Bernier, U.R.; Carlson, D.A.; Geden, C.J., Gas chromatography/mass spectrometry analysis of the cuticular hydrocarbons from parasitic wasps of the genus Muscidifurax, J. Am. Soc. Mass Spectrom., 9, 1998, 320-332., Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.53 mm; Column length: 25 m; Column type: Capillary; Heat rate: 15 K/min; Start T: 150 C; End T: 320 C; End time: 20 min; CAS no: 7371984; Active phase: HT-5; Carrier gas: N2; Phase thickness: 0.22 um; Data type: Linear RI; Authors: Goh S.H.; Ooi K.E.; Chuah C.H.; Yong H.S.; Khoo S.G.; Ong S.H., Cuticular hydrocarbons from two species of Malaysian Bactrocera fruit flies, Biochem. Syst. Ecol., 21(2), 1993, 215-226.) NIST Spectra nist ri
      2955 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 60C (2min) =>10C/min =>220C =>3C/min =>310C; CAS no: 7371984; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Bernier, U.R.; Carlson, D.A.; Geden, C.J., Gas chromatography/mass spectrometry analysis of the cuticular hydrocarbons from parasitic wasps of the genus Muscidifurax, J. Am. Soc. Mass Spectrom., 9, 1998, 320-332.) NIST Spectra nist ri
      2934 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 60C=>20C/min =>230C=> 5C/min =>330C; CAS no: 7371984; Active phase: DB-1; Carrier gas: He; Data type: Linear RI; Authors: Sutton, B.D.; Carlson, D.A., Interspecific variation in tephritid fruit fly larvae surface hydrocarbons, Arch. Insect Biochem. Physiol., 23, 1993, 53-65.) NIST Spectra nist ri
      2931 (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: 2 K/min; Start T: 150 C; End T: 300 C; CAS no: 7371984; Active phase: DB-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Steiner, S.; Steidle, J.L.M.; Ruther, J., Female sex pheromone in immature insect males - a case of pre-emergence chemical mimicry?, Behavioral Ecology and Sociobiology, 58, 2005, 111-120.) NIST Spectra nist ri
      2929 (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: 150 C; End T: 280 C; CAS no: 7371984; Active phase: DB-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Steinmetz, I.; Schmolz, E.; Ruther, J., Cuticular lipids as trail pheromone in a social wasp, Proc. R. Soc. London B:, 270, 2003, 385-391.) NIST Spectra nist ri
      2932 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.53 mm; Column length: 25 m; Column type: Capillary; Heat rate: 15 K/min; Start T: 150 C; End T: 320 C; End time: 20 min; CAS no: 7371984; Active phase: HT-5; Carrier gas: N2; Phase thickness: 0.22 um; Data type: Linear RI; Authors: Goh S.H.; Ooi K.E.; Chuah C.H.; Yong H.S.; Khoo S.G.; Ong S.H., Cuticular hydrocarbons from two species of Malaysian Bactrocera fruit flies, Biochem. Syst. Ecol., 21(2), 1993, 215-226.) 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: 492.0±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 73.0±0.8 kJ/mol
Flash Point: 192.2±12.8 °C
Index of Refraction: 1.451
Molar Refractivity: 141.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 1
ACD/LogP: 16.51
ACD/LogD (pH 5.5): 15.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 29.7±3.0 dyne/cm
Molar Volume: 524.1±3.0 cm3

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