ChemSpider 2D Image | (~2~H_3_)Methyl 3-methylbutanoate | C6H9D3O2

(2H3)Methyl 3-methylbutanoate

  • Molecular FormulaC6H9D3O2
  • Average mass119.177 Da
  • Monoisotopic mass119.102562 Da
  • ChemSpider ID48062718

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl 3-methylbutanoate [ACD/IUPAC Name]
(2H3)Methyl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, methyl-d3 ester [ACD/Index Name]
1082582-09-9 [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: 116.5±0.0 °C at 760 mmHg
Vapour Pressure: 18.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.5±3.0 kJ/mol
Flash Point: 19.4±8.3 °C
Index of Refraction: 1.396
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.91
ACD/KOC (pH 5.5): 192.55
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.91
ACD/KOC (pH 7.4): 192.55
Polar Surface Area: 26 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 24.7±3.0 dyne/cm
Molar Volume: 131.4±3.0 cm3

Click to predict properties on the Chemicalize site


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