ChemSpider 2D Image | Ethyl 1-[8-(2-fluoro-2-propanyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]cyclohexanecarboxylate | C21H29FO4

Ethyl 1-[8-(2-fluoro-2-propanyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]cyclohexanecarboxylate

  • Molecular FormulaC21H29FO4
  • Average mass364.451 Da
  • Monoisotopic mass364.204987 Da
  • ChemSpider ID73865188

More details:

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

1-[8-(2-Fluoro-2-propanyl)-3,4-dihydro-2H-1,5-benzodioxépin-7-yl]cyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-[8-(1-fluoro-1-methylethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[8-(2-fluoro-2-propanyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]cyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-1-[8-(2-fluor-2-propanyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]cyclohexancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 448.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 217.2±23.6 °C
Index of Refraction: 1.507
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4990.92
ACD/KOC (pH 5.5): 15443.68
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4990.92
ACD/KOC (pH 7.4): 15443.68
Polar Surface Area: 45 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 325.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement