ChemSpider 2D Image | 3-Hexen-1-yl octanoate | C14H26O2

3-Hexen-1-yl octanoate

  • Molecular FormulaC14H26O2
  • Average mass226.355 Da
  • Monoisotopic mass226.193283 Da
  • ChemSpider ID23253501

More details:

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

3-Hexen-1-yl octanoate [ACD/IUPAC Name]
3-Hexen-1-yl-octanoat [German] [ACD/IUPAC Name]
hex-3-en-1-yl octanoate
Octanoate de 3-hexén-1-yle [French] [ACD/IUPAC Name]
Octanoic acid, 3-hexen-1-yl ester [ACD/Index Name]
61444-41-5 [RN]
87619-90-7 [RN]
cis-octanoic acid hex-3-enyl ester

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

Density: 0.9±0.1 g/cm3
Boiling Point: 292.5±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 91.4±19.9 °C
Index of Refraction: 1.448
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7963.57
ACD/KOC (pH 5.5): 21577.62
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 7963.57
ACD/KOC (pH 7.4): 21577.62
Polar Surface Area: 26 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 30.1±3.0 dyne/cm
Molar Volume: 256.7±3.0 cm3

Click to predict properties on the Chemicalize site


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