ChemSpider 2D Image | 16-Methylheptadecyl (9Z,12Z)-9,12-octadecadienoate | C36H68O2

16-Methylheptadecyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC36H68O2
  • Average mass532.924 Da
  • Monoisotopic mass532.521912 Da
  • ChemSpider ID17622855

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z)-9,12-Octadécadiénoate de 16-méthylheptadécyle [French] [ACD/IUPAC Name]
127358-80-9 [RN]
16-Methylheptadecyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
16-Methylheptadecyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 16-methylheptadecyl ester, (9Z,12Z)- [ACD/Index Name]

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

4778M3HR0N [DBID]
UNII:4778M3HR0N [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: 587.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 52.4±22.6 °C
Index of Refraction: 1.468
Molar Refractivity: 170.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 16.49
ACD/LogD (pH 5.5): 13.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 613.9±3.0 cm3

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