ChemSpider 2D Image | Ethyl 3-(3-chloro-4-methoxyphenyl)-3-oxopropanoate | C12H13ClO4

Ethyl 3-(3-chloro-4-methoxyphenyl)-3-oxopropanoate

  • Molecular FormulaC12H13ClO4
  • Average mass256.682 Da
  • Monoisotopic mass256.050232 Da
  • ChemSpider ID25991481

More details:

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

3-(3-Chloro-4-méthoxyphényl)-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-chloro-4-methoxy-β-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-(3-chloro-4-methoxyphenyl)-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-(3-chlor-4-methoxyphenyl)-3-oxopropanoat [German] [ACD/IUPAC Name]
1192136-17-6 [RN]
3-(3-chloro-4-methoxyphenyl)-3-oxopropanoic acid ethyl ester
3-(3-Chloro-4-methoxy-phenyl)-3-oxo-propionic acid ethyl ester
Benzenepropanoic acid, 3-chloro-4-methoxy-β-oxo-, ethyl ester
ethyl 3-(3-chloranyl-4-methoxy-phenyl)-3-oxidanylidene-propanoate
ethyl3-(3-chloro-4-methoxyphenyl)-3-oxopropanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 369.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 150.3±24.1 °C
Index of Refraction: 1.517
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.89
ACD/KOC (pH 5.5): 627.85
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.83
ACD/KOC (pH 7.4): 627.24
Polar Surface Area: 53 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 209.9±3.0 cm3

Click to predict properties on the Chemicalize site


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