ChemSpider 2D Image | 1-(8-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-1-hexanol | C17H25ClO3

1-(8-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-1-hexanol

  • Molecular FormulaC17H25ClO3
  • Average mass312.832 Da
  • Monoisotopic mass312.149231 Da
  • ChemSpider ID43421044

More details:

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

1-(8-Chlor-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-1-hexanol [German] [ACD/IUPAC Name]
1-(8-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl-1-hexanol [ACD/IUPAC Name]
1-(8-Chloro-3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-2-éthyl-1-hexanol [French] [ACD/IUPAC Name]
2H-1,5-Benzodioxepin-7-methanol, 8-chloro-α-(1-ethylpentyl)-3,4-dihydro- [ACD/Index 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: 418.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 206.6±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3221.61
ACD/KOC (pH 5.5): 11289.45
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3221.61
ACD/KOC (pH 7.4): 11289.45
Polar Surface Area: 39 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 278.5±3.0 cm3

Click to predict properties on the Chemicalize site


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