ChemSpider 2D Image | Ethyl 2-(~2~H_3_)methyl(~2~H_6_)butanoate | C7H5D9O2

Ethyl 2-(2H3)methyl(2H6)butanoate

  • Molecular FormulaC7H5D9O2
  • Average mass139.240 Da
  • Monoisotopic mass139.155869 Da
  • ChemSpider ID30773513

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Méthyl(2H6)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic-2,3,3,4,4,4-d6 acid, 2-(methyl-d3)-, ethyl ester [ACD/Index Name]
Ethyl 2-(2H3)methyl(2H6)butanoate [ACD/IUPAC Name]
Ethyl-2-(2H3)methyl(2H6)butanoat [German] [ACD/IUPAC Name]
1523464-12-1 [RN]
Ethyl (?)-2-Methylbutyrate-d9
Ethyl (±)-2-Methylbutyrate-d9
Ethyl DL-2-Methylbutyrate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 135.1±8.0 °C at 760 mmHg
Vapour Pressure: 7.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 37.3±3.0 kJ/mol
Flash Point: 26.1±0.0 °C
Index of Refraction: 1.404
Molar Refractivity: 36.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.99
ACD/KOC (pH 5.5): 286.31
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 18.99
ACD/KOC (pH 7.4): 286.31
Polar Surface Area: 26 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 25.6±3.0 dyne/cm
Molar Volume: 147.9±3.0 cm3

Click to predict properties on the Chemicalize site


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