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Inherent Properties, Identifiers and References
ChemSpider ID: 14980500
Empirical Formula: C3H5Cl3
Molecular Weight: 147.4308
Nominal Mass: 146 Da
Average Mass: 147.4308 Da
Monoisotopic Mass: 145.945683 Da
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Systematic Name: chloroethylene; dichloromethane
SMILES: C=CCl.ClCCl
InChI: InChI=1/C2H3Cl.CH2Cl2/c1-2-3;2-1-3/h2H,1H2;1H2
InChIKey: PETZXKIOMZTABS-UHFFFAOYAW
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(Details...) Predicted Properties
LogP: ACD/LogP: 2.63
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 2.63 ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 5.5): 58.42 ACD/BCF (pH 7.4): 58.42
ACD/KOC (pH 5.5): 639.9 ACD/KOC (pH 7.4): 639.9
#H bond acceptors: 0 #H bond donors: 0
#Freely Rotating Bonds: 0 Polar Surface Area: 2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 59.8 °C Enthalpy of Vaporization: 36.26 kJ/mol
Boiling Point: 141 °C at 760 mmHg Vapour Pressure: 7.45 mmHg at 25°C