ChemSpider 2D Image | 2-Hepten-1-yl 3-methylbutanoate | C12H22O2

2-Hepten-1-yl 3-methylbutanoate

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID23078608

More details:

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

253596-70-2 [RN]
2-Hepten-1-yl 3-methylbutanoate [ACD/IUPAC Name]
2-Hepten-1-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de 2-heptén-1-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, 2-hepten-1-yl ester [ACD/Index Name]
Hept-2-en-1-yl 3-methylbutanoate
94109-97-4 [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: 250.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 83.0±17.1 °C
Index of Refraction: 1.443
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 672.74
ACD/KOC (pH 5.5): 3679.39
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 672.74
ACD/KOC (pH 7.4): 3679.39
Polar Surface Area: 26 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 28.8±3.0 dyne/cm
Molar Volume: 224.1±3.0 cm3

Click to predict properties on the Chemicalize site


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