ChemSpider 2D Image | (~2~H_3_)Methyl (2,2,3,3,10,10-~2~H_6_)tetradecanoate | C15H21D9O2

(2H3)Methyl (2,2,3,3,10,10-2H6)tetradecanoate

  • Molecular FormulaC15H21D9O2
  • Average mass251.453 Da
  • Monoisotopic mass251.281067 Da
  • ChemSpider ID9131237

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl (2,2,3,3,10,10-2H6)tetradecanoate [ACD/IUPAC Name]
(2H3)Methyl-(2,2,3,3,10,10-2H6)tetradecanoat [German] [ACD/IUPAC Name]
(2,2,3,3,10,10-2H6)Tétradécanoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Tetradecanoic-2,2,3,3,10,10-d6 acid, methyl-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: 323.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 134.6±6.9 °C
Index of Refraction: 1.437
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79725.90
ACD/KOC (pH 5.5): 112239.35
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79725.90
ACD/KOC (pH 7.4): 112239.35
Polar Surface Area: 26 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 29.9±3.0 dyne/cm
Molar Volume: 279.6±3.0 cm3

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