ChemSpider 2D Image | Heptan-2-yl 3-methylbutyrate | C12H24O2

Heptan-2-yl 3-methylbutyrate

  • Molecular FormulaC12H24O2
  • Average mass200.318 Da
  • Monoisotopic mass200.177628 Da
  • ChemSpider ID28589831

More details:

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

1-Methylhexyl 3-methylbutanoate
2-Heptanyl 3-methylbutanoate
2-Heptanyl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de 2-heptanyle [French] [ACD/IUPAC Name]
5Y1&OV1Y1&1 [WLN]
Butanoic acid, 3-methyl-, 1-methylhexyl ester [ACD/Index Name]
Heptan-2-yl 3-methylbutyrate [ACD/IUPAC Name]
238757-71-6 [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: 222.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 91.8±5.4 °C
Index of Refraction: 1.428
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1137.91
ACD/KOC (pH 5.5): 5359.96
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1137.91
ACD/KOC (pH 7.4): 5359.96
Polar Surface Area: 26 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 27.6±3.0 dyne/cm
Molar Volume: 230.9±3.0 cm3

Click to predict properties on the Chemicalize site


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