ChemSpider 2D Image | (9E)-9-Octadecen-1-yl 3-methylbutanoate | C23H44O2

(9E)-9-Octadecen-1-yl 3-methylbutanoate

  • Molecular FormulaC23H44O2
  • Average mass352.594 Da
  • Monoisotopic mass352.334137 Da
  • ChemSpider ID113368574

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E)-9-Octadecen-1-yl 3-methylbutanoate [ACD/IUPAC Name]
(9E)-9-Octadecen-1-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (9E)-9-octadécén-1-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (9E)-9-octadecen-1-yl ester [ACD/Index Name]
9-Octadecenyl 3-methylbutanoate
WE(18:1(9E)/4:0(3Me))

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

Density: 0.9±0.1 g/cm3
Boiling Point: 433.6±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 91.0±21.2 °C
Index of Refraction: 1.457
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 10.10
ACD/LogD (pH 5.5): 9.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2256758.50
ACD/LogD (pH 7.4): 9.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2256758.50
Polar Surface Area: 26 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 405.7±3.0 cm3

Click to predict properties on the Chemicalize site


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