ChemSpider 2D Image | (5S)-5-Methyl-1-heptene | C8H16

(5S)-5-Methyl-1-heptene

  • Molecular FormulaC8H16
  • Average mass112.213 Da
  • Monoisotopic mass112.125198 Da
  • ChemSpider ID57497446

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-Methyl-1-hepten [German] [ACD/IUPAC Name]
(5S)-5-Methyl-1-heptene [ACD/IUPAC Name]
(5S)-5-Méthyl-1-heptène [French] [ACD/IUPAC Name]
1-Heptene, 5-methyl-, (5S)- [ACD/Index Name]
(5S)-5-Methylhept-1-ene
[S,(+)]-5-Methyl-1-heptene
16197-40-3 [RN]
1-HEPTENE, 5-METHYL-, (S)-

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

Density: 0.7±0.1 g/cm3
Boiling Point: 112.4±7.0 °C at 760 mmHg
Vapour Pressure: 25.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 33.6±0.8 kJ/mol
Flash Point: 15.5±3.3 °C
Index of Refraction: 1.412
Molar Refractivity: 38.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 496.44
ACD/KOC (pH 5.5): 2960.10
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 496.44
ACD/KOC (pH 7.4): 2960.10
Polar Surface Area: 0 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 21.7±3.0 dyne/cm
Molar Volume: 156.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement