ChemSpider 2D Image | 2-Chloroethyl carbonocyanidate | C4H4ClNO2

2-Chloroethyl carbonocyanidate

  • Molecular FormulaC4H4ClNO2
  • Average mass133.533 Da
  • Monoisotopic mass132.993057 Da
  • ChemSpider ID32995534

More details:

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

2-Chlorethylcarbonocyanidat [German] [ACD/IUPAC Name]
2-Chloroethyl carbonocyanidate [ACD/IUPAC Name]
Carbonocyanidate de 2-chloroéthyle [French] [ACD/IUPAC Name]
Carbonocyanidic acid, 2-chloroethyl ester [ACD/Index Name]
89033-77-2 [RN]
MFCD19234775

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

Density: 1.3±0.1 g/cm3
Boiling Point: 183.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.0±3.0 kJ/mol
Flash Point: 65.0±22.6 °C
Index of Refraction: 1.440
Molar Refractivity: 27.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 54.39
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 54.39
Polar Surface Area: 50 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 102.8±3.0 cm3

Click to predict properties on the Chemicalize site


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