ChemSpider 2D Image | 3,3-Dimethyl-2-oxobutyl 1-(3-fluorophenyl)cyclopentanecarboxylate | C18H23FO3

3,3-Dimethyl-2-oxobutyl 1-(3-fluorophenyl)cyclopentanecarboxylate

  • Molecular FormulaC18H23FO3
  • Average mass306.372 Da
  • Monoisotopic mass306.163116 Da
  • ChemSpider ID33009379

More details:

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

1-(3-Fluorophényl)cyclopentanecarboxylate de 3,3-diméthyl-2-oxobutyle [French] [ACD/IUPAC Name]
3,3-Dimethyl-2-oxobutyl 1-(3-fluorophenyl)cyclopentanecarboxylate [ACD/IUPAC Name]
3,3-Dimethyl-2-oxobutyl-1-(3-fluorphenyl)cyclopentancarboxylat [German] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1-(3-fluorophenyl)-, 3,3-dimethyl-2-oxobutyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 398.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 187.9±21.4 °C
Index of Refraction: 1.509
Molar Refractivity: 81.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 595.55
ACD/KOC (pH 5.5): 3372.00
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 595.55
ACD/KOC (pH 7.4): 3372.00
Polar Surface Area: 43 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 272.9±3.0 cm3

Click to predict properties on the Chemicalize site


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