ChemSpider 2D Image | 5-Methyl-3-heptene | C8H16

5-Methyl-3-heptene

  • Molecular FormulaC8H16
  • Average mass112.213 Da
  • Monoisotopic mass112.125198 Da
  • ChemSpider ID23254012

More details:

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

3-Heptene, 5-methyl- [ACD/Index Name]
5-Methyl-3-hepten [German] [ACD/IUPAC Name]
5-Methyl-3-heptene [ACD/IUPAC Name]
5-Méthyl-3-heptène [French] [ACD/IUPAC Name]
5-Methylhept-3-ene
13172-91-3 [RN]
3-methylhept-4-ene
53510-18-2 [RN]
hept-3-ene, 5-methyl-
  • Gas Chromatography

    • Retention Index (Normal Alkane):

      741.4 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.1 mm; Column length: 20 m; Column type: Capillary; Description: 40C(0.4min) =>10C/min=> 110C=>20C/min =>260C (1min); CAS no: 53510182; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.4 um; Data type: Normal alkane RI; Authors: LECO Corporation, Rapid qualitative GC/TOFMS analysis of unleaded gasoline, 2003.) NIST Spectra nist ri
      776.2 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.1 mm; Column length: 20 m; Column type: Capillary; Description: 40C(0.4min) => 10C/min =>110C =>20C/min =>260C (1min); CAS no: 53510182; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.4 um; Data type: Normal alkane RI; Authors: LECO Corporation, Rapid qualitative GC/TOFMS analysis of a petroleum refinery reformate standard, 2003.) NIST Spectra nist ri

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

Density: 0.7±0.1 g/cm3
Boiling Point: 115.2±7.0 °C at 760 mmHg
Vapour Pressure: 22.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 33.9±0.8 kJ/mol
Flash Point: 11.9±9.2 °C
Index of Refraction: 1.420
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 361.76
ACD/KOC (pH 5.5): 2360.03
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 361.76
ACD/KOC (pH 7.4): 2360.03
Polar Surface Area: 0 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 22.1±3.0 dyne/cm
Molar Volume: 154.6±3.0 cm3

Click to predict properties on the Chemicalize site


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