ChemSpider 2D Image | (2,4-~2~H_2_)-3-Benzoxepine | C10H6D2O

(2,4-2H2)-3-Benzoxepine

  • Molecular FormulaC10H6D2O
  • Average mass146.182 Da
  • Monoisotopic mass146.070068 Da
  • ChemSpider ID73961781

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,4-2H2)-3-Benzoxepin [German] [ACD/IUPAC Name]
(2,4-2H2)-3-Benzoxepine [ACD/IUPAC Name]
(2,4-2H2)-3-Benzoxépine [French] [ACD/IUPAC Name]
3-Benzoxepin-2,4-d2 [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: 271.3±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 112.3±22.8 °C
Index of Refraction: 1.581
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 57.06
ACD/KOC (pH 5.5): 629.18
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 57.06
ACD/KOC (pH 7.4): 629.18
Polar Surface Area: 9 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 131.6±3.0 cm3

Click to predict properties on the Chemicalize site


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