ChemSpider 2D Image | (3E)-3-Hexen-1-yl (2E)-2-methyl-2-butenoate | C11H18O2

(3E)-3-Hexen-1-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC11H18O2
  • Average mass182.259 Da
  • Monoisotopic mass182.130676 Da
  • ChemSpider ID26563782

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Méthyl-2-buténoate de (3E)-3-hexén-1-yle [French] [ACD/IUPAC Name]
(3E)-3-Hexen-1-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3E)-3-Hexen-1-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3E)-3-hexen-1-yl ester, (2E)- [ACD/Index Name]
cis-3-Hexenyl tiglate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 244.3±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 106.2±12.6 °C
Index of Refraction: 1.458
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 359.35
ACD/KOC (pH 5.5): 2348.77
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 359.35
ACD/KOC (pH 7.4): 2348.77
Polar Surface Area: 26 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 200.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement