ChemSpider 2D Image | Stearyl erucate | C40H78O2

Stearyl erucate

  • Molecular FormulaC40H78O2
  • Average mass591.046 Da
  • Monoisotopic mass590.600159 Da
  • ChemSpider ID20138347

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z)-13-Docosénoate d'octadécyle [French] [ACD/IUPAC Name]
13-Docosenoic acid, octadecyl ester, (13Z)- [ACD/Index Name]
289-256-4 [EINECS]
86601-84-5 [RN]
Octadecyl (13Z)-13-docosenoate [ACD/IUPAC Name]
Octadecyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
Stearyl erucate
(Z)-docos-13-enoic acid octadecyl ester
(Z)-docos-13-enoic acid stearyl ester
octadecyl (Z)-docos-13-enoate
More...

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

7348T50QAK [DBID]
UNII:7348T50QAK [DBID]
UNII-7348T50QAK [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 627.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 31.0±21.2 °C
Index of Refraction: 1.464
Molar Refractivity: 189.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 19.32
ACD/LogD (pH 5.5): 17.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 685.9±3.0 cm3

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