ChemSpider 2D Image | 8-(3-Chlorophenyl)-8-oxooctanoic acid | C14H17ClO3

8-(3-Chlorophenyl)-8-oxooctanoic acid

  • Molecular FormulaC14H17ClO3
  • Average mass268.736 Da
  • Monoisotopic mass268.086609 Da
  • ChemSpider ID21401661

More details:

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

8-(3-Chlorophenyl)-8-oxooctanoic acid [ACD/IUPAC Name]
8-(3-Chlorphenyl)-8-oxooctansäure [German] [ACD/IUPAC Name]
Acide 8-(3-chlorophényl)-8-oxooctanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 3-chloro-η-oxo- [ACD/Index Name]
898765-75-8 [RN]
MFCD01320068 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 446.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 224.0±24.6 °C
Index of Refraction: 1.535
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 33.53
ACD/KOC (pH 5.5): 253.09
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.05
Polar Surface Area: 54 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 226.6±3.0 cm3

Click to predict properties on the Chemicalize site


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