ChemSpider 2D Image | 3-(Phosphonooxy)(~2~H_5_)-1,2-propanediyl di(~2~H_27_)tetradecanoate | C31H2D59O8P

3-(Phosphonooxy)(2H5)-1,2-propanediyl di(2H27)tetradecanoate

  • Molecular FormulaC31H2D59O8P
  • Average mass652.149 Da
  • Monoisotopic mass651.780762 Da
  • ChemSpider ID9149524
  • Non-standard isotope - Non-standard isotope


More details:






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

3-(Phosphonooxy)(2H5)-1,2-propandiyl-di(2H27)tetradecanoat [German] [ACD/IUPAC Name]
3-(Phosphonooxy)(2H5)-1,2-propanediyl di(2H27)tetradecanoate [ACD/IUPAC Name]
Di(2H27)tétradécanoate de 3-(phosphonooxy)(2H5)-1,2-propanediyle [French] [ACD/IUPAC Name]
Tetradecanoic-d27 acid, 1-[(phosphonooxy)methyl-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: 1.0±0.1 g/cm3
Boiling Point: 668.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 358.2±34.3 °C
Index of Refraction: 1.473
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 11.55
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 43881.46
ACD/KOC (pH 5.5): 8080.60
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 5163.08
ACD/KOC (pH 7.4): 950.76
Polar Surface Area: 129 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 573.1±3.0 cm3

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