ChemSpider 2D Image | 1-[(9Z)-9-Octadecenoyloxy]-3-(tetradecanoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate | C53H96O6

1-[(9Z)-9-Octadecenoyloxy]-3-(tetradecanoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC53H96O6
  • Average mass829.326 Da
  • Monoisotopic mass828.720703 Da
  • ChemSpider ID79413300

  • 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 1-[(9Z)-9-octadecenoyloxy]-3-(tetradecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-[(9Z)-9-Octadecenoyloxy]-3-(tetradecanoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
1-[(9Z)-9-Octadecenoyloxy]-3-(tetradecanoyloxy)-2-propanyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
108961-58-6 [RN]
9,12-Octadecadienoic acid, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1-[[(1-oxotetradecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
9Z,12Z-octadecadienoic acid, 1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-2-[(1-oxotetradecyl)oxy]ethyl ester
CID 15664111

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

Density: 0.9±0.1 g/cm3
Boiling Point: 783.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 294.2±30.2 °C
Index of Refraction: 1.477
Molar Refractivity: 253.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.59
ACD/LogD (pH 5.5): 20.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 895.1±3.0 cm3

Click to predict properties on the Chemicalize site


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