ChemSpider 2D Image | (3Z)-6-Methyl-3-hepten-2-one | C8H14O

(3Z)-6-Methyl-3-hepten-2-one

  • Molecular FormulaC8H14O
  • Average mass126.196 Da
  • Monoisotopic mass126.104462 Da
  • ChemSpider ID61834130
  • Double-bond stereo - Double-bond stereo


More details:






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

(3Z)-6-Methyl-3-hepten-2-on [German] [ACD/IUPAC Name]
(3Z)-6-Methyl-3-hepten-2-one [ACD/IUPAC Name]
(3Z)-6-Méthyl-3-heptén-2-one [French] [ACD/IUPAC Name]
3-Hepten-2-one, 6-methyl-, (3Z)- [ACD/Index Name]
1234837-29-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 179.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.5±3.0 kJ/mol
Flash Point: 62.7±4.2 °C
Index of Refraction: 1.430
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.48
ACD/KOC (pH 5.5): 235.76
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.48
ACD/KOC (pH 7.4): 235.76
Polar Surface Area: 17 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 25.3±3.0 dyne/cm
Molar Volume: 151.7±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement