ChemSpider 2D Image | Methyl 2-(7-~2~H)oxepinecarboxylate | C8H7DO3

Methyl 2-(7-2H)oxepinecarboxylate

  • Molecular FormulaC8H7DO3
  • Average mass153.154 Da
  • Monoisotopic mass153.053619 Da
  • ChemSpider ID73952901

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(7-2H)Oxépinecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Oxepin-7-d-carboxylic acid, methyl ester [ACD/Index Name]
Methyl 2-(7-2H)oxepinecarboxylate [ACD/IUPAC Name]
Methyl-2-(7-2H)oxepincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 263.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 104.8±20.0 °C
Index of Refraction: 1.509
Molar Refractivity: 39.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.40
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 36.64
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 36.64
Polar Surface Area: 36 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 130.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement