ChemSpider 2D Image | (3Z)-5-Methyl-3-hexenoic acid | C7H12O2

(3Z)-5-Methyl-3-hexenoic acid

  • Molecular FormulaC7H12O2
  • Average mass128.169 Da
  • Monoisotopic mass128.083725 Da
  • ChemSpider ID57497197

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-5-Methyl-3-hexenoic acid [ACD/IUPAC Name]
(3Z)-5-Methyl-3-hexensäure [German] [ACD/IUPAC Name]
3-Hexenoic acid, 5-methyl-, (3Z)- [ACD/Index Name]
Acide (3Z)-5-méthyl-3-hexénoïque [French] [ACD/IUPAC Name]
3-HEXENOIC ACID, 5-METHYL-, (Z)-
65974-51-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 218.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.1±6.0 kJ/mol
Flash Point: 115.7±13.9 °C
Index of Refraction: 1.456
Molar Refractivity: 36.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.93
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 132.7±3.0 cm3

Click to predict properties on the Chemicalize site


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