ChemSpider 2D Image | 3,6-Dimethyl-3-heptene | C9H18

3,6-Dimethyl-3-heptene

  • Molecular FormulaC9H18
  • Average mass126.239 Da
  • Monoisotopic mass126.140854 Da
  • ChemSpider ID24591646

More details:






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

3,6-Dimethyl-3-hepten [German] [ACD/IUPAC Name]
3,6-Dimethyl-3-heptene [ACD/IUPAC Name]
3,6-Diméthyl-3-heptène [French] [ACD/IUPAC Name]
3,6-Dimethylhept-3-ene
3-Heptene, 3,6-dimethyl- [ACD/Index Name]
62685-72-7 [RN]

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

Density: 0.7±0.1 g/cm3
Boiling Point: 139.4±7.0 °C at 760 mmHg
Vapour Pressure: 8.0±0.1 mmHg at 25°C
Enthalpy of Vaporization: 36.1±0.8 kJ/mol
Flash Point: 19.7±14.8 °C
Index of Refraction: 1.424
Molar Refractivity: 43.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 924.97
ACD/KOC (pH 5.5): 4621.20
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 924.97
ACD/KOC (pH 7.4): 4621.20
Polar Surface Area: 0 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 22.2±3.0 dyne/cm
Molar Volume: 170.9±3.0 cm3

Click to predict properties on the Chemicalize site






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