ChemSpider 2D Image | 8-[(9Z)-9-Octadecenoyloxy]octadecanoic acid | C36H68O4

8-[(9Z)-9-Octadecenoyloxy]octadecanoic acid

  • Molecular FormulaC36H68O4
  • Average mass564.923 Da
  • Monoisotopic mass564.511780 Da
  • ChemSpider ID74849773

  • Double-bond stereo - Double-bond stereo

More details:

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

8-[(9Z)-9-Octadecenoyloxy]octadecanoic acid [ACD/IUPAC Name]
8-[(9Z)-9-Octadecenoyloxy]octadecansäure [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 1-(6-carboxyhexyl)undecyl ester, (9Z)- [ACD/Index Name]
Acide 8-[(9Z)-9-octadecenoyloxy]octadécanoïque [French] [ACD/IUPAC Name]
8-(9Z-octadecenoyloxy)-octadecanoic acid
8-[(9Z)-octadec-9-enoyloxy]octadecanoic acid
8-OAHSA
FAHFA(18:1(9Z)/8-O-18:0)

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 644.4±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 183.2±23.1 °C
Index of Refraction: 1.472
Molar Refractivity: 172.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 14.91
ACD/LogD (pH 5.5): 13.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2522752.00
Polar Surface Area: 64 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 614.9±3.0 cm3

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