ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 3-chloro-1-adamantanecarboxylate | C21H25ClO5

2-(3,4-Dimethoxyphenyl)-2-oxoethyl 3-chloro-1-adamantanecarboxylate

  • Molecular FormulaC21H25ClO5
  • Average mass392.873 Da
  • Monoisotopic mass392.139038 Da
  • ChemSpider ID22764692

More details:

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

2-(3,4-Dimethoxyphenyl)-2-oxoethyl 3-chloro-1-adamantanecarboxylate [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-2-oxoethyl-3-chlor-1-adamantancarboxylat [German] [ACD/IUPAC Name]
3-Chloro-1-adamantanecarboxylate de 2-(3,4-diméthoxyphényl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-chloro-, 2-(3,4-dimethoxyphenyl)-2-oxoethyl 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: 519.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 185.2±27.7 °C
Index of Refraction: 1.575
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1470.95
ACD/KOC (pH 5.5): 6441.18
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1470.95
ACD/KOC (pH 7.4): 6441.18
Polar Surface Area: 62 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 303.7±5.0 cm3

Click to predict properties on the Chemicalize site


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