ChemSpider 2D Image | 3-Hydroxy-1,2-propanediyl di(~2~H_23_)dodecanoate | C27H6D46O5

3-Hydroxy-1,2-propanediyl di(2H23)dodecanoate

  • Molecular FormulaC27H6D46O5
  • Average mass502.982 Da
  • Monoisotopic mass502.670197 Da
  • ChemSpider ID128918299
  • 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(2H23)dodecanoat [German] [ACD/IUPAC Name]
3-Hydroxy-1,2-propanediyl di(2H23)dodecanoate [ACD/IUPAC Name]
Di(2H23)dodécanoate de 3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
Dodecanoic-d23 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: 1.0±0.1 g/cm3
Boiling Point: 531.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 158.0±14.4 °C
Index of Refraction: 1.464
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 1
ACD/LogP: 10.09
ACD/LogD (pH 5.5): 9.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5937047.50
ACD/LogD (pH 7.4): 9.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5937047.50
Polar Surface Area: 73 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 479.1±3.0 cm3

Click to predict properties on the Chemicalize site






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