ChemSpider 2D Image | 6,7,8,9-Tetrahydro-5H-benzo[7]annulene-6-carbonitrile | C12H13N

6,7,8,9-Tetrahydro-5H-benzo[7]annulene-6-carbonitrile

  • Molecular FormulaC12H13N
  • Average mass171.238 Da
  • Monoisotopic mass171.104797 Da
  • ChemSpider ID73218535

More details:

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

5H-Benzocycloheptene-6-carbonitrile, 6,7,8,9-tetrahydro- [ACD/Index Name]
6,7,8,9-Tetrahydro-5H-benzo[7]annulen-6-carbonitril [German] [ACD/IUPAC Name]
6,7,8,9-Tetrahydro-5H-benzo[7]annulene-6-carbonitrile [ACD/IUPAC Name]
6,7,8,9-Tétrahydro-5H-benzo[7]annulène-6-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 325.9±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 121.2±14.8 °C
Index of Refraction: 1.552
Molar Refractivity: 52.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.43
ACD/KOC (pH 5.5): 1086.73
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.43
ACD/KOC (pH 7.4): 1086.73
Polar Surface Area: 24 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 163.9±5.0 cm3

Click to predict properties on the Chemicalize site


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