ChemSpider 2D Image | 1-Chloro-3-butyn-2-ol | C4H5ClO

1-Chloro-3-butyn-2-ol

  • Molecular FormulaC4H5ClO
  • Average mass104.535 Da
  • Monoisotopic mass104.002892 Da
  • ChemSpider ID32994404

More details:

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

1-Chlor-3-butin-2-ol [German] [ACD/IUPAC Name]
1-Chloro-3-butyn-2-ol [ACD/IUPAC Name]
1-Chloro-3-butyn-2-ol [French] [ACD/IUPAC Name]
3-Butyn-2-ol, 1-chloro- [ACD/Index Name]
67645-72-1 [RN]
MFCD19232181

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

Density: 1.2±0.1 g/cm3
Boiling Point: 166.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.7 mmHg at 25°C
Enthalpy of Vaporization: 46.9±6.0 kJ/mol
Flash Point: 54.2±23.2 °C
Index of Refraction: 1.477
Molar Refractivity: 24.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 41.55
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 41.55
Polar Surface Area: 20 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 87.6±3.0 cm3

Click to predict properties on the Chemicalize site


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