Dotetracontane C42H86 structure

Flashcard maker : Lily Taylor

C42H86 structure
Molecular Formula C42H86
Average mass 591.132 Da
Density 0.8┬▒0.1 g/cm3
Boiling Point 536.1┬▒13.0 °C at 760 mmHg
Flash Point 428.1┬▒9.4 °C
Molar Refractivity 196.6┬▒0.3 cm3
Polarizability 77.9┬▒0.5 10-24cm3
Surface Tension 31.0┬▒3.0 dyne/cm
Molar Volume 721.8┬▒3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Predicted – Mcule
  • 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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