ChemSpider 2D Image | Methyl 4-(~2~H)formylbenzoate | C9H7DO3

Methyl 4-(2H)formylbenzoate

  • Molecular FormulaC9H7DO3
  • Average mass165.164 Da
  • Monoisotopic mass165.053619 Da
  • ChemSpider ID74811334
  • Non-standard isotope - Non-standard isotope


More details:






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

4-(2H)Formylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(formyl-d)-, methyl ester [ACD/Index Name]
Methyl 4-(2H)formylbenzoate [ACD/IUPAC Name]
Methyl-4-(2H)formylbenzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 265.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 122.5±22.7 °C
Index of Refraction: 1.558
Molar Refractivity: 44.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.31
ACD/KOC (pH 5.5): 245.41
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.31
ACD/KOC (pH 7.4): 245.41
Polar Surface Area: 43 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 139.0±3.0 cm3

Click to predict properties on the Chemicalize site






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