ChemSpider 2D Image | 1-Octen-3-yl butyrate | C12H22O2

1-Octen-3-yl butyrate

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID21427547

More details:

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

1-Octen-3-yl butyrate [ACD/IUPAC Name]
1-Octen-3-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, 1-ethenylhexyl ester [ACD/Index Name]
Butyrate de 1-octén-3-yle [French] [ACD/IUPAC Name]
16491-54-6 [RN]
240-555-8 [EINECS]
UNII-H8J989X4KJ

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

Density: 0.9±0.1 g/cm3
Boiling Point: 248.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.6±3.0 kJ/mol
Flash Point: 99.7±12.3 °C
Index of Refraction: 1.437
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1538.24
ACD/KOC (pH 5.5): 6650.73
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1538.24
ACD/KOC (pH 7.4): 6650.73
Polar Surface Area: 26 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 28.4±3.0 dyne/cm
Molar Volume: 225.6±3.0 cm3

Click to predict properties on the Chemicalize site


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