ChemSpider 2D Image | Chloromethyl cyanoacetate | C4H4ClNO2

Chloromethyl cyanoacetate

  • Molecular FormulaC4H4ClNO2
  • Average mass133.533 Da
  • Monoisotopic mass132.993057 Da
  • ChemSpider ID61196362

More details:

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

Acetic acid, 2-cyano-, chloromethyl ester [ACD/Index Name]
Chlormethyl-cyanacetat [German] [ACD/IUPAC Name]
Chloromethyl cyanoacetate [ACD/IUPAC Name]
Cyanoacétate de chlorométhyle [French] [ACD/IUPAC Name]
1936142-61-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 219.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 86.7±20.4 °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: -0.10
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
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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