ChemSpider 2D Image | 4-Methyl(7-~2~H)oxepine | C7H7DO

4-Methyl(7-2H)oxepine

  • Molecular FormulaC7H7DO
  • Average mass109.144 Da
  • Monoisotopic mass109.063789 Da
  • ChemSpider ID73952918
  • Non-standard isotope - Non-standard isotope


More details:






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

4-Methyl(7-2H)oxepin [German] [ACD/IUPAC Name]
4-Methyl(7-2H)oxepine [ACD/IUPAC Name]
4-Méthyl(7-2H)oxépine [French] [ACD/IUPAC Name]
Oxepin-2-d, 5-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 191.6±9.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 61.5±14.4 °C
Index of Refraction: 1.492
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 80.44
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 80.44
Polar Surface Area: 9 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 28.0±3.0 dyne/cm
Molar Volume: 113.1±3.0 cm3

Click to predict properties on the Chemicalize site






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