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Inherent Properties, Identifiers and References
ChemSpider ID: 11525292
Empirical Formula: C2H5ClO
Molecular Weight: 80.5135
Nominal Mass: 80 Da
Average Mass: 80.5135 Da
Monoisotopic Mass: 80.002892 Da
Quick Links: Permalink Similar Isomers
Systematic Name: chloromethane; formaldehyde
SMILES: CCl.C=O
InChI: InChI=1/CH3Cl.CH2O/c2*1-2/h1H3;1H2
InChIKey: KDNGRELSFNLEAO-UHFFFAOYAM
(Details...) Predicted Properties
LogP: ACD/LogP: 1.32
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.32 ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 5.5): 5.92 ACD/BCF (pH 7.4): 5.92
ACD/KOC (pH 5.5): 124.35 ACD/KOC (pH 7.4): 124.35
#H bond acceptors: 1 #H bond donors: 0
#Freely Rotating Bonds: 0 Polar Surface Area: 17.07 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 5.8 °C Enthalpy of Vaporization: 31.25 kJ/mol
Boiling Point: 85.7 °C at 760 mmHg Vapour Pressure: 76.8 mmHg at 25°C