ChemSpider 2D Image | 3-Hydroxy(~2~H_5_)-1,2-propanediyl dioctadecanoate | C39H71D5O5

3-Hydroxy(2H5)-1,2-propanediyl dioctadecanoate

  • Molecular FormulaC39H71D5O5
  • Average mass630.049 Da
  • Monoisotopic mass629.600647 Da
  • ChemSpider ID107433825

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy(2H5)-1,2-propandiyl-dioctadecanoat [German] [ACD/IUPAC Name]
3-Hydroxy(2H5)-1,2-propanediyl dioctadecanoate [ACD/IUPAC Name]
Dioctadécanoate de 3-hydroxy(2H5)-1,2-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic acid, 1-(hydroxymethyl-d2)-1,2-ethanediyl-1,2,2-d3 ester [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: 662.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 181.8±15.8 °C
Index of Refraction: 1.467
Molar Refractivity: 187.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.47
ACD/LogD (pH 5.5): 15.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 677.1±3.0 cm3

Click to predict properties on the Chemicalize site


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