ChemSpider 2D Image | 2-Phenylethyl 3-(3-oxo-1-cyclopenten-1-yl)propanoate | C16H18O3

2-Phenylethyl 3-(3-oxo-1-cyclopenten-1-yl)propanoate

  • Molecular FormulaC16H18O3
  • Average mass258.312 Da
  • Monoisotopic mass258.125580 Da
  • ChemSpider ID40256574

More details:

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

1-Cyclopentene-1-propanoic acid, 3-oxo-, 2-phenylethyl ester [ACD/Index Name]
2-Phenylethyl 3-(3-oxo-1-cyclopenten-1-yl)propanoate [ACD/IUPAC Name]
2-Phenylethyl-3-(3-oxo-1-cyclopenten-1-yl)propanoat [German] [ACD/IUPAC Name]
3-(3-Oxo-1-cyclopentén-1-yl)propanoate de 2-phényléthyle [French] [ACD/IUPAC Name]
Hypocrenone A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 414.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 183.8±25.7 °C
Index of Refraction: 1.547
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.31
ACD/KOC (pH 5.5): 745.49
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.31
ACD/KOC (pH 7.4): 745.49
Polar Surface Area: 43 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 227.8±3.0 cm3

Click to predict properties on the Chemicalize site


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