ChemSpider 2D Image | Methyl 4-acetoxy(~2~H_4_)benzoate | C10H6D4O4

Methyl 4-acetoxy(2H4)benzoate

  • Molecular FormulaC10H6D4O4
  • Average mass198.209 Da
  • Monoisotopic mass198.083023 Da
  • ChemSpider ID26638457

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Acétoxy(2H4)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-(acetyloxy)-, methyl ester [ACD/Index Name]
Methyl 4-acetoxy(2H4)benzoate [ACD/IUPAC Name]
Methyl-4-acetoxy(2H4)benzoat [German] [ACD/IUPAC Name]
1,4-Benzene-2,3,5,6-d4-dicarboxylic acid, dimethyl ester
74079-01-9 [RN]
  • Miscellaneous

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

Density: 1.2±0.1 g/cm3
Boiling Point: 287.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.6±3.0 kJ/mol
Flash Point: 141.6±21.0 °C
Index of Refraction: 1.510
Molar Refractivity: 49.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.17
ACD/KOC (pH 5.5): 195.84
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.17
ACD/KOC (pH 7.4): 195.84
Polar Surface Area: 53 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 165.0±3.0 cm3

Click to predict properties on the Chemicalize site


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