ChemSpider 2D Image | (~2~H_5_)Ethyl butyrate | C6H7D5O2

(2H5)Ethyl butyrate

  • Molecular FormulaC6H7D5O2
  • Average mass121.189 Da
  • Monoisotopic mass121.115112 Da
  • ChemSpider ID48060297

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Ethyl butyrate [ACD/IUPAC Name]
(2H5)Ethylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, ethyl-d5 ester [ACD/Index Name]
Butyrate de (2H5)éthyle [French] [ACD/IUPAC Name]
38447-86-8 [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: 122.4±3.0 °C at 760 mmHg
Vapour Pressure: 13.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.5±0.0 kJ/mol
Flash Point: 19.4±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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