ChemSpider 2D Image | 3-Hexen-1-yl heptanoate | C13H24O2

3-Hexen-1-yl heptanoate

  • Molecular FormulaC13H24O2
  • Average mass212.329 Da
  • Monoisotopic mass212.177628 Da
  • ChemSpider ID23253502

More details:

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

3-Hexen-1-yl heptanoate [ACD/IUPAC Name]
3-Hexen-1-yl-heptanoat [German] [ACD/IUPAC Name]
Heptanoate de 3-hexén-1-yle [French] [ACD/IUPAC Name]
Heptanoic acid, 3-hexen-1-yl ester [ACD/Index Name]
hex-3-en-1-yl heptanoate
61444-39-1 [RN]
cis-heptanoic 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: 274.7±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 89.4±19.9 °C
Index of Refraction: 1.446
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1905.73
ACD/KOC (pH 5.5): 7752.92
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1905.73
ACD/KOC (pH 7.4): 7752.92
Polar Surface Area: 26 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 240.2±3.0 cm3

Click to predict properties on the Chemicalize site


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