ChemSpider 2D Image | (~2~H_3_)Methyl hexacosanoate | C27H51D3O2

(2H3)Methyl hexacosanoate

  • Molecular FormulaC27H51D3O2
  • Average mass413.735 Da
  • Monoisotopic mass413.431213 Da
  • ChemSpider ID48060963

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl hexacosanoate [ACD/IUPAC Name]
(2H3)Methyl-hexacosanoat [German] [ACD/IUPAC Name]
Hexacosanoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Hexacosanoic acid, methyl-d3 ester [ACD/Index Name]
77502-88-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 439.5±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 220.9±8.3 °C
Index of Refraction: 1.452
Molar Refractivity: 128.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 12.93
ACD/LogD (pH 5.5): 11.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 477.7±3.0 cm3

Click to predict properties on the Chemicalize site


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