ChemSpider 2D Image | 3-(3-Chloro-1-propyn-1-yl)bicyclo[4.1.0]hepta-1,3,5-triene | C10H7Cl

3-(3-Chloro-1-propyn-1-yl)bicyclo[4.1.0]hepta-1,3,5-triene

  • Molecular FormulaC10H7Cl
  • Average mass162.616 Da
  • Monoisotopic mass162.023621 Da
  • ChemSpider ID84537901

More details:

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

3-(3-Chlor-1-propin-1-yl)bicyclo[4.1.0]hepta-1,3,5-trien [German] [ACD/IUPAC Name]
3-(3-Chloro-1-propyn-1-yl)bicyclo[4.1.0]hepta-1,3,5-triene [ACD/IUPAC Name]
3-(3-Chloro-1-propyn-1-yl)bicyclo[4.1.0]hepta-1,3,5-triène [French] [ACD/IUPAC Name]
Bicyclo[4.1.0]hepta-1,3,5-triene, 3-(3-chloro-1-propyn-1-yl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 290.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 124.6±20.8 °C
Index of Refraction: 1.621
Molar Refractivity: 46.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.63
ACD/KOC (pH 5.5): 1536.57
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.63
ACD/KOC (pH 7.4): 1536.57
Polar Surface Area: 0 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 130.9±5.0 cm3

Click to predict properties on the Chemicalize site


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