ChemSpider 2D Image | 1,2,3-Propanetriyl 12-(acetyloxy)-9-octadecenoate | C63H110O12

1,2,3-Propanetriyl 12-(acetyloxy)-9-octadecenoate

  • Molecular FormulaC63H110O12
  • Average mass1059.540 Da
  • Monoisotopic mass1058.799683 Da
  • ChemSpider ID4575517

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,9'E)Bis(12-acétoxy-9-octadécénoate) de 2-{[(9E)-12-acétoxy-9-octadecenoyl]oxy}-1,3-propanediyle [French] [ACD/IUPAC Name]
1,2,3-Propanetriyl 12-(acetyloxy)-9-octadecenoate
2-{[(9E)-12-Acetoxy-9-octadecenoyl]oxy}-1,3-propandiyl-(9E,9'E)bis(12-acetoxy-9-octadecenoat) [German] [ACD/IUPAC Name]
2-{[(9E)-12-Acetoxy-9-octadecenoyl]oxy}-1,3-propanediyl (9E,9'E)bis(12-acetoxy-9-octadecenoate) [ACD/IUPAC Name]
9-Octadecenoic acid, 12-(acetyloxy)-, 2-[[(9E)-12-(acetyloxy)-1-oxo-9-octadecen-1-yl]oxy]-1,3-propanediyl ester, (9E,9'E)- [ACD/Index Name]
22323-48-4 [RN]
30519-96-1 [RN]
9-Octadecenoic acid, 12-(acetyloxy)-, 1,2,3-propanetriol ester
9-Octadecenoic acid, 12-(acetyloxy)-, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-
9-Octadecenoic acid, 12-(acetyloxy)-, 1,2,3-propanetriyl ester, stereoisomer
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 904.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 325.8±34.3 °C
Index of Refraction: 1.480
Molar Refractivity: 304.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 3
ACD/LogP: 20.13
ACD/LogD (pH 5.5): 18.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 158 Å2
Polarizability: 120.7±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 1071.7±3.0 cm3

Click to predict properties on the Chemicalize site


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