ChemSpider 2D Image | Methyl 2-cyano-3,3-dimethylbutanoate | C8H13NO2

Methyl 2-cyano-3,3-dimethylbutanoate

  • Molecular FormulaC8H13NO2
  • Average mass155.194 Da
  • Monoisotopic mass155.094635 Da
  • ChemSpider ID27017952

More details:

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

2-Cyano-3,3-diméthylbutanoate de méthyle [French] [ACD/IUPAC Name]
55712-10-2 [RN]
Butanoic acid, 2-cyano-3,3-dimethyl-, methyl ester [ACD/Index Name]
Methyl 2-cyano-3,3-dimethylbutanoate [ACD/IUPAC Name]
Methyl-2-cyan-3,3-dimethylbutanoat [German] [ACD/IUPAC Name]
methyl2-cyano-3,3-dimethylbutanoate
MFCD06797634

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

Density: 1.0±0.1 g/cm3
Boiling Point: 195.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 79.4±5.2 °C
Index of Refraction: 1.429
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.11
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: 32.1±3.0 dyne/cm
Molar Volume: 157.9±3.0 cm3

Click to predict properties on the Chemicalize site


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