ChemSpider 2D Image | (3Z)-5-Methyl-3-hexen-2-one | C7H12O

(3Z)-5-Methyl-3-hexen-2-one

  • Molecular FormulaC7H12O
  • Average mass112.170 Da
  • Monoisotopic mass112.088814 Da
  • ChemSpider ID30776907

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-5-Methyl-3-hexen-2-on [German] [ACD/IUPAC Name]
(3Z)-5-Methyl-3-hexen-2-one [ACD/IUPAC Name]
(3Z)-5-Méthyl-3-hexén-2-one [French] [ACD/IUPAC Name]
3-Hexen-2-one, 5-methyl-, (3Z)- [ACD/Index Name]
(3Z)-5-methylhex-3-en-2-one
(3Z)-5-METHYLHEX-3-EN-2-ONE|(3Z)-5-METHYLHEX-3-EN-2-ONE
(E)-5-Methyl-3-hexen-2-one
1669-43-8 [RN]
1821-29-0 [RN]
3-Hexen-2-one, 5-Me
More...

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

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

Density: 0.8±0.1 g/cm3
Boiling Point: 150.7±9.0 °C at 760 mmHg
Vapour Pressure: 3.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.8±3.0 kJ/mol
Flash Point: 47.8±0.0 °C
Index of Refraction: 1.424
Molar Refractivity: 34.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.24
ACD/KOC (pH 5.5): 143.49
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.24
ACD/KOC (pH 7.4): 143.49
Polar Surface Area: 17 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 24.3±3.0 dyne/cm
Molar Volume: 135.2±3.0 cm3

Click to predict properties on the Chemicalize site


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