ChemSpider 2D Image | 2-Chloro-1,3,5-cycloheptatriene | C7H7Cl

2-Chloro-1,3,5-cycloheptatriene

  • Molecular FormulaC7H7Cl
  • Average mass126.584 Da
  • Monoisotopic mass126.023628 Da
  • ChemSpider ID62896871

More details:






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

1,3,5-Cycloheptatriene, 2-chloro- [ACD/Index Name]
2-Chlor-1,3,5-cycloheptatrien [German] [ACD/IUPAC Name]
2-Chloro-1,3,5-cycloheptatriene [ACD/IUPAC Name]
2-Chloro-1,3,5-cycloheptatriène [French] [ACD/IUPAC Name]
107135-21-7 [RN]
34896-79-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 185.6±19.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.5±3.0 kJ/mol
Flash Point: 61.6±16.9 °C
Index of Refraction: 1.541
Molar Refractivity: 36.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.42
ACD/KOC (pH 5.5): 969.75
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.42
ACD/KOC (pH 7.4): 969.75
Polar Surface Area: 0 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 32.4±5.0 dyne/cm
Molar Volume: 116.9±5.0 cm3

Click to predict properties on the Chemicalize site






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