ChemSpider 2D Image | 1,2,4-Heptatrien-6-yne | C7H6

1,2,4-Heptatrien-6-yne

  • Molecular FormulaC7H6
  • Average mass90.122 Da
  • Monoisotopic mass90.046951 Da
  • ChemSpider ID28679367

More details:

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

1,2,4-Heptatrien-6-in [German] [ACD/IUPAC Name]
1,2,4-Heptatrien-6-yne [ACD/Index Name] [ACD/IUPAC Name]
1,2,4-Heptatrién-6-yne [French] [ACD/IUPAC Name]
123150-61-8 [RN]
Hepta-1,2,4-trien-6-yne

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

Density: 0.8±0.1 g/cm3
Boiling Point: 121.4±7.0 °C at 760 mmHg
Vapour Pressure: 17.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 34.5±0.8 kJ/mol
Flash Point: 12.6±12.3 °C
Index of Refraction: 1.469
Molar Refractivity: 32.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.43
ACD/KOC (pH 5.5): 447.39
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.43
ACD/KOC (pH 7.4): 447.39
Polar Surface Area: 0 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 14.4±3.0 dyne/cm
Molar Volume: 115.2±3.0 cm3

Click to predict properties on the Chemicalize site


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