ChemSpider 2D Image | 5-(4-Chloro-2-methoxyphenyl)-5-oxopentanoic acid | C12H13ClO4

5-(4-Chloro-2-methoxyphenyl)-5-oxopentanoic acid

  • Molecular FormulaC12H13ClO4
  • Average mass256.682 Da
  • Monoisotopic mass256.050232 Da
  • ChemSpider ID21401882

More details:

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

5-(4-Chlor-2-methoxyphenyl)-5-oxopentansäure [German] [ACD/IUPAC Name]
5-(4-Chloro-2-methoxyphenyl)-5-oxopentanoic acid [ACD/IUPAC Name]
Acide 5-(4-chloro-2-méthoxyphényl)-5-oxopentanoïque [French] [ACD/IUPAC Name]
Benzenepentanoic acid, 4-chloro-2-methoxy-δ-oxo- [ACD/Index Name]
5-(4-CHLORO-2-METHOXYPHENYL)-5-OXOVALERIC ACID
951889-68-2 [RN]
MFCD09801749 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 455.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 229.5±25.9 °C
Index of Refraction: 1.542
Molar Refractivity: 63.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 48.11
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 201.1±3.0 cm3

Click to predict properties on the Chemicalize site


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