ChemSpider 2D Image | 1,3-Bis(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate | C51H96O6

1,3-Bis(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate

  • Molecular FormulaC51H96O6
  • Average mass805.304 Da
  • Monoisotopic mass804.720703 Da
  • ChemSpider ID30777692

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-9-Octadécénoate de 1,3-bis(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
1,3-Bis(pentadecanoyloxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[(1-oxopentadecyl)oxy]-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
1,3-bis(pentadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
1-Pentadecanoyl-2-(9Z-octadecenoyl)-3-pentadecanoyl-glycerol
1-Pentadecanoyl-2-oleoyl-3-pentadecanoyl-glycerol
869990-13-6 [RN]
TAG(15:0/18:1/15:0)
TAG(48:1)
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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: 764.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 288.4±24.6 °C
Index of Refraction: 1.469
Molar Refractivity: 243.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.56
ACD/LogD (pH 5.5): 20.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 874.8±3.0 cm3

Click to predict properties on the Chemicalize site


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