ChemSpider 2D Image | 1-Heptene-3,6-diyne | C7H6

1-Heptene-3,6-diyne

  • Molecular FormulaC7H6
  • Average mass90.122 Da
  • Monoisotopic mass90.046951 Da
  • ChemSpider ID28704906

More details:

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

1-Hepten-3,6-diin [German] [ACD/IUPAC Name]
1-Heptene-3,6-diyne [ACD/Index Name] [ACD/IUPAC Name]
1-Heptène-3,6-diyne [French] [ACD/IUPAC Name]
89794-00-3 [RN]
Hept-1-ene-3,6-diyne

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

Density: 0.8±0.1 g/cm3
Boiling Point: 121.2±23.0 °C at 760 mmHg
Vapour Pressure: 17.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 34.4±0.8 kJ/mol
Flash Point: 12.5±16.7 °C
Index of Refraction: 1.477
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.39
ACD/KOC (pH 5.5): 447.00
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.39
ACD/KOC (pH 7.4): 447.00
Polar Surface Area: 0 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 106.2±3.0 cm3

Click to predict properties on the Chemicalize site


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