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Inherent Properties, Identifiers and References
ChemSpider ID: 16256854
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:
SMILES: [ClH+]CC[O-]
InChI: InChI=1/C2H5ClO/c3-1-2-4/h3H,1-2H2
InChIKey: BBKDBLBAUAKGSS-UHFFFAOYAB
(Details...) Predicted Properties
LogP: # of Rule of 5 Violations:
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 1 #H bond donors: 1
#Freely Rotating Bonds: 2 Polar Surface Area: 23.06 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C