ChemSpider 2D Image | (9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl methoxy(phenyl)acetate | C19H19ClO5

(9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl methoxy(phenyl)acetate

  • Molecular FormulaC19H19ClO5
  • Average mass362.804 Da
  • Monoisotopic mass362.092102 Da
  • ChemSpider ID30091274

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-methoxy(phenyl)acetat [German] [ACD/IUPAC Name]
(9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl methoxy(phenyl)acetate [ACD/IUPAC Name]
Benzeneacetic acid, α-methoxy-, (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl ester [ACD/Index Name]
Méthoxy(phényl)acétate de (9-chloro-3,4-dihydro-2H-1,5-benzodioxépin-7-yl)méthyle [French] [ACD/IUPAC 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: 490.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 181.6±27.7 °C
Index of Refraction: 1.569
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3000.70
ACD/KOC (pH 5.5): 10729.79
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3000.70
ACD/KOC (pH 7.4): 10729.79
Polar Surface Area: 54 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 285.2±3.0 cm3

Click to predict properties on the Chemicalize site


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