ChemSpider 2D Image | sec-Butyl heptanoate | C11H22O2

sec-Butyl heptanoate

  • Molecular FormulaC11H22O2
  • Average mass186.291 Da
  • Monoisotopic mass186.161987 Da
  • ChemSpider ID28678291

More details:

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

Heptanoate de sec-butyle [French] [ACD/IUPAC Name]
Heptanoic acid, 1-methylpropyl ester [ACD/Index Name]
sec-Butyl heptanoate [ACD/IUPAC Name]
sec-Butyl-heptanoat [German] [ACD/IUPAC Name]
119245-03-3 [RN]
Butan-2-yl heptanoate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 214.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 82.9±8.3 °C
Index of Refraction: 1.425
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 733.02
ACD/KOC (pH 5.5): 3912.47
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 733.02
ACD/KOC (pH 7.4): 3912.47
Polar Surface Area: 26 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 27.9±3.0 dyne/cm
Molar Volume: 214.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement