ChemSpider 2D Image | 1-[(~2~H_35_)Octadecanoyloxy]-3-(stearoyloxy)-2-propanyl (9Z)-9-octadecenoate | C57H73D35O6

1-[(2H35)Octadecanoyloxy]-3-(stearoyloxy)-2-propanyl (9Z)-9-octadecenoate

  • Molecular FormulaC57H73D35O6
  • Average mass924.680 Da
  • Monoisotopic mass924.034302 Da
  • ChemSpider ID107436124

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(9Z)-9-Octadécénoate de 1-[(2H35)octadecanoyloxy]-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-[(2H35)Octadecanoyloxy]-3-(stearoyloxy)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
1-[(2H35)Octadecanoyloxy]-3-(stearoyloxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[(1-oxooctadecyl)oxy]-1-[[(1-oxooctadecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-d35)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 817.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 301.5±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.75
ACD/LogD (pH 5.5): 23.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 973.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement