ChemSpider 2D Image | Methyl (4,4-~2~H_2_)pentanoate | C6H10D2O2

Methyl (4,4-2H2)pentanoate

  • Molecular FormulaC6H10D2O2
  • Average mass118.171 Da
  • Monoisotopic mass118.096283 Da
  • ChemSpider ID74029048

  • Non-standard isotope - Non-standard isotope

More details:

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

(4,4-2H2)Pentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (4,4-2H2)pentanoate [ACD/IUPAC Name]
Methyl-(4,4-2H2)pentanoat [German] [ACD/IUPAC Name]
Pentanoic-4,4-d2 acid, methyl 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: 127.6±3.0 °C at 760 mmHg
Vapour Pressure: 11.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.4±0.0 kJ/mol
Flash Point: 22.2±0.0 °C
Index of Refraction: 1.398
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.85
ACD/KOC (pH 5.5): 240.09
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.85
ACD/KOC (pH 7.4): 240.09
Polar Surface Area: 26 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 25.9±3.0 dyne/cm
Molar Volume: 131.1±3.0 cm3

Click to predict properties on the Chemicalize site


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