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Search term: DATA_SOURCE in ('DISMA, Department of Agri-Food Molecular Sciences, University of Milano, Italy')
ChemSpider 2D Image | 2-(Chloroacetyl)-1-cyclopentene-1-carbonitrile | C8H8ClNO

2-(Chloroacetyl)-1-cyclopentene-1-carbonitrile

  • Molecular FormulaC8H8ClNO
  • Average mass169.608 Da
  • Monoisotopic mass169.029449 Da
  • ChemSpider ID26233338

More details:

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

1-Cyclopentene-1-carbonitrile, 2-(2-chloroacetyl)- [ACD/Index Name]
2-(2-Chloroacétyl)-1-cyclopentène-1-carbonitrile [French] [ACD/IUPAC Name]
2-(Chloracetyl)-1-cyclopenten-1-carbonitril [German] [ACD/IUPAC Name]
2-(Chloroacetyl)-1-cyclopentene-1-carbonitrile [ACD/IUPAC Name]
2-(2-chloroacetyl)cyclopent-1-enecarbonitrile
2-(2-chloroacetyl)cyclopentene-1-carbonitrile
98545-90-5 [RN]
MFCD18806795

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

Density: 1.2±0.1 g/cm3
Boiling Point: 287.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 127.7±27.3 °C
Index of Refraction: 1.512
Molar Refractivity: 41.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.68
ACD/KOC (pH 5.5): 325.04
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.68
ACD/KOC (pH 7.4): 325.04
Polar Surface Area: 41 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 137.9±5.0 cm3

Click to predict properties on the Chemicalize site


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