ChemSpider 2D Image | 3-Hydroxy-1,2-propanediyl di(~2~H_35_)octadecanoate | C39H6D70O5

3-Hydroxy-1,2-propanediyl di(2H35)octadecanoate

  • Molecular FormulaC39H6D70O5
  • Average mass695.449 Da
  • Monoisotopic mass695.008667 Da
  • ChemSpider ID107439817
  • Non-standard isotope - Non-standard isotope


More details:






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

3-Hydroxy-1,2-propandiyl-di(2H35)octadecanoat [German] [ACD/IUPAC Name]
3-Hydroxy-1,2-propanediyl di(2H35)octadecanoate [ACD/IUPAC Name]
Di(2H35)octadécanoate de 3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
Octadecanoic-d35 acid, 1-(hydroxymethyl)-1,2-ethanediyl 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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