ChemSpider 2D Image | 3-Oxobutanoyl chloride | C4H5ClO2

3-Oxobutanoyl chloride

  • Molecular FormulaC4H5ClO2
  • Average mass120.534 Da
  • Monoisotopic mass119.997810 Da
  • ChemSpider ID13530351

More details:

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

39098-85-6 [RN]
3-Oxobutanoyl chloride [ACD/IUPAC Name]
3-Oxobutanoylchlorid [German] [ACD/IUPAC Name]
Butanoyl chloride, 3-oxo- [ACD/Index Name]
Chlorure de 3-oxobutanoyle [French] [ACD/IUPAC Name]
Butanoyl chloride, 3-oxo- (9CI)
BUTANOYL CHLORIDE,3-OXO-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 153.0±23.0 °C at 760 mmHg
Vapour Pressure: 3.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.0±3.0 kJ/mol
Flash Point: 54.2±23.2 °C
Index of Refraction: 1.423
Molar Refractivity: 25.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 37.98
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.85
Polar Surface Area: 34 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 100.2±3.0 cm3

Click to predict properties on the Chemicalize site


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