ChemSpider 2D Image | Ethyl (2R)-2-cyano-3-methylbutanoate | C8H13NO2

Ethyl (2R)-2-cyano-3-methylbutanoate

  • Molecular FormulaC8H13NO2
  • Average mass155.194 Da
  • Monoisotopic mass155.094635 Da
  • ChemSpider ID98606769

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Cyano-3-méthylbutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-cyano-3-methyl-, ethyl ester, (2R)- [ACD/Index Name]
Ethyl (2R)-2-cyano-3-methylbutanoate [ACD/IUPAC Name]
Ethyl-(2R)-2-cyan-3-methylbutanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 201.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.8±3.0 kJ/mol
Flash Point: 82.9±5.2 °C
Index of Refraction: 1.428
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 50 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 158.2±3.0 cm3

Click to predict properties on the Chemicalize site


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