ChemSpider 2D Image | Methyl 2-chloro-4-methoxy-3-oxobutanoate | C6H9ClO4

Methyl 2-chloro-4-methoxy-3-oxobutanoate

  • Molecular FormulaC6H9ClO4
  • Average mass180.586 Da
  • Monoisotopic mass180.018936 Da
  • ChemSpider ID28469170

More details:

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

2-Chloro-4-méthoxy-3-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-chloro-4-methoxy-3-oxo-, methyl ester [ACD/Index Name]
Methyl 2-chloro-4-methoxy-3-oxobutanoate [ACD/IUPAC Name]
Methyl-2-chlor-4-methoxy-3-oxobutanoat [German] [ACD/IUPAC Name]
2-chloro-4-methoxy-3-oxo-butanoic acid methyl ester
84746-34-9 [RN]
methyl2-chloro-4-methoxy-3-oxobutanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 235.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 99.6±22.2 °C
Index of Refraction: 1.435
Molar Refractivity: 38.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 60.30
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.90
Polar Surface Area: 53 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 146.3±3.0 cm3

Click to predict properties on the Chemicalize site


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