ChemSpider 2D Image | 2-Hexen-1-yl hexanoate | C12H22O2

2-Hexen-1-yl hexanoate

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID21105917

More details:






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

258-519-5 [EINECS]
2-Hexen-1-yl hexanoate [ACD/IUPAC Name]
2-Hexen-1-yl-hexanoat [German] [ACD/IUPAC Name]
53398-86-0 [RN]
hex-2-en-1-yl hexanoate
Hexanoate de 2-hexén-1-yle [French] [ACD/IUPAC Name]
Hexanoic acid, 2-hexen-1-yl ester [ACD/Index Name]
Hex-2-enyl hexanoate
hexanoic acid hex-2-enyl ester
trans-2-Hexenyl caproate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 256.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.3±3.0 kJ/mol
Flash Point: 86.5±17.1 °C
Index of Refraction: 1.444
Molar Refractivity: 59.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1167.85
ACD/KOC (pH 5.5): 5460.53
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1167.85
ACD/KOC (pH 7.4): 5460.53
Polar Surface Area: 26 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 223.7±3.0 cm3

Click to predict properties on the Chemicalize site






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