ChemSpider 2D Image | 1-Oxo-1-(pentyloxy)-2-propanyl 4-(4-chlorophenyl)-4-oxobutanoate | C18H23ClO5

1-Oxo-1-(pentyloxy)-2-propanyl 4-(4-chlorophenyl)-4-oxobutanoate

  • Molecular FormulaC18H23ClO5
  • Average mass354.825 Da
  • Monoisotopic mass354.123413 Da
  • ChemSpider ID67199612

More details:

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

1-Oxo-1-(pentyloxy)-2-propanyl 4-(4-chlorophenyl)-4-oxobutanoate [ACD/IUPAC Name]
1-Oxo-1-(pentyloxy)-2-propanyl-4-(4-chlorphenyl)-4-oxobutanoat [German] [ACD/IUPAC Name]
4-(4-Chlorophényl)-4-oxobutanoate de 1-oxo-1-(pentyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 4-chloro-γ-oxo-, 1-methyl-2-oxo-2-(pentyloxy)ethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 461.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 162.2±23.6 °C
Index of Refraction: 1.508
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4409.04
ACD/KOC (pH 5.5): 14132.38
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4409.04
ACD/KOC (pH 7.4): 14132.38
Polar Surface Area: 70 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 305.3±3.0 cm3

Click to predict properties on the Chemicalize site


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