ChemSpider 2D Image | 4-Propionylphenyl 3-chloro-1-adamantanecarboxylate | C20H23ClO3

4-Propionylphenyl 3-chloro-1-adamantanecarboxylate

  • Molecular FormulaC20H23ClO3
  • Average mass346.848 Da
  • Monoisotopic mass346.133575 Da
  • ChemSpider ID30544673

More details:

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

3-Chloro-1-adamantanecarboxylate de 4-propionylphényle [French] [ACD/IUPAC Name]
4-Propionylphenyl 3-chloro-1-adamantanecarboxylate [ACD/IUPAC Name]
4-Propionylphenyl-3-chlor-1-adamantancarboxylat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-chloro-, 4-(1-oxopropyl)phenyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 176.6±23.6 °C
Index of Refraction: 1.583
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2955.44
ACD/KOC (pH 5.5): 10613.69
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2955.44
ACD/KOC (pH 7.4): 10613.69
Polar Surface Area: 43 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 275.9±5.0 cm3

Click to predict properties on the Chemicalize site


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