ChemSpider 2D Image | (~2~H_3_)Methyl butyrate | C5H7D3O2

(2H3)Methyl butyrate

  • Molecular FormulaC5H7D3O2
  • Average mass105.150 Da
  • Monoisotopic mass105.086906 Da
  • ChemSpider ID48060635
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H3)Methyl butyrate [ACD/IUPAC Name]
(2H3)Methylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, methyl-d3 ester [ACD/Index Name]
Butyrate de (2H3)méthyle [French] [ACD/IUPAC Name]
38666-81-8 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 104.2±3.0 °C at 760 mmHg
Vapour Pressure: 31.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.3±3.0 kJ/mol
Flash Point: 11.7±0.0 °C
Index of Refraction: 1.387
Molar Refractivity: 27.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.59
ACD/KOC (pH 5.5): 134.28
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.59
ACD/KOC (pH 7.4): 134.28
Polar Surface Area: 26 Å2
Polarizability: 10.7±0.5 10-24cm3
Surface Tension: 24.9±3.0 dyne/cm
Molar Volume: 114.6±3.0 cm3

Click to predict properties on the Chemicalize site






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