ChemSpider 2D Image | (9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl 3-hydroxy-1-adamantanecarboxylate | C21H25ClO5

(9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl 3-hydroxy-1-adamantanecarboxylate

  • Molecular FormulaC21H25ClO5
  • Average mass392.873 Da
  • Monoisotopic mass392.139038 Da
  • ChemSpider ID22550680

More details:

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

(9-Chlor-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl-3-hydroxy-1-adamantancarboxylat [German] [ACD/IUPAC Name]
(9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl 3-hydroxy-1-adamantanecarboxylate [ACD/IUPAC Name]
3-Hydroxy-1-adamantanecarboxylate de (9-chloro-3,4-dihydro-2H-1,5-benzodioxépin-7-yl)méthyle [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-hydroxy-, (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 515.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 265.7±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 894.47
ACD/KOC (pH 5.5): 4511.59
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 894.47
ACD/KOC (pH 7.4): 4511.59
Polar Surface Area: 65 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 282.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement