ChemSpider 2D Image | (3E)-3-Hexen-1-yl (2E)-2-methyl-2-pentenoate | C12H20O2

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

  • Molecular FormulaC12H20O2
  • Average mass196.286 Da
  • Monoisotopic mass196.146332 Da
  • ChemSpider ID25996698

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Méthyl-2-penténoate de (3E)-3-hexén-1-yle [French] [ACD/IUPAC Name]
(3E)-3-Hexen-1-yl (2E)-2-methyl-2-pentenoate [ACD/IUPAC Name]
(3E)-3-Hexen-1-yl-(2E)-2-methyl-2-pentenoat [German] [ACD/IUPAC Name]
2-Pentenoic acid, 2-methyl-, (3E)-3-hexen-1-yl ester, (2E)- [ACD/Index Name]
[(E)-hex-3-enyl] (Z)-2-methylpent-2-enoate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 263.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.1±3.0 kJ/mol
Flash Point: 116.6±12.6 °C
Index of Refraction: 1.459
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 630.83
ACD/KOC (pH 5.5): 3513.82
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 630.83
ACD/KOC (pH 7.4): 3513.82
Polar Surface Area: 26 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 217.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement