ChemSpider 2D Image | Dotetracontane | C42H86

Dotetracontane

  • Molecular FormulaC42H86
  • Average mass591.132 Da
  • Monoisotopic mass590.672974 Da
  • ChemSpider ID109857

More details:






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

1714988
7098-20-6 [RN]
Dotetracontan [German] [ACD/IUPAC Name]
Dotetracontane [ACD/Index Name] [ACD/IUPAC Name] [Wiki]
Dotétracontane [French] [ACD/IUPAC Name]
MFCD00665974
n-Dotetracontane
7383-56-4 [RN]
ALKANE C42
ALKANEC42

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

44250_FLUKA [DBID]
  • Gas Chromatography
    • Retention Index (Kovats):

      4196 (estimated with error: 39) NIST Spectra mainlib_162061
    • Retention Index (Normal Alkane):

      4200 (Column class: All column type... (show more) s; CAS no: 7098206; Data type: Normal alkane RI value specified by scale definition; Authors: von Kovats, E., 206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone, Helv. Chim. Acta, 41(7), 1958, 1915-1932.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 536.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 78.2±0.8 kJ/mol
Flash Point: 428.1±9.4 °C
Index of Refraction: 1.457
Molar Refractivity: 196.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 23.07
ACD/LogD (pH 5.5): 20.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 721.8±3.0 cm3

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