ChemSpider 2D Image | Behenyl erucate | C44H86O2

Behenyl erucate

  • Molecular FormulaC44H86O2
  • Average mass647.152 Da
  • Monoisotopic mass646.662781 Da
  • ChemSpider ID4941117

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z)-13-Docosénoate de docosyle [French] [ACD/IUPAC Name]
13-Docosenoic acid, docosyl ester, (13Z)- [ACD/Index Name]
18312-32-8 [RN]
242-201-8 [EINECS]
Behenyl erucate
Docosyl (13Z)-13-docosenoate [ACD/IUPAC Name]
Docosyl (13Z)-docos-13-enoate
docosyl (Z)-docos-13-enoate
Docosyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
(Z)-docos-13-enoic acid behenyl ester
More...

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

681898L9A8 [DBID]
UNII:681898L9A8 [DBID]
UNII-681898L9A8 [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: 669.1±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 12.8±21.2 °C
Index of Refraction: 1.465
Molar Refractivity: 207.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 21.44
ACD/LogD (pH 5.5): 19.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 751.9±3.0 cm3

Click to predict properties on the Chemicalize site


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