ChemSpider 2D Image | Ethyl 4-methoxy(2,6-~2~H_2_)benzoate | C10H10D2O3

Ethyl 4-methoxy(2,6-2H2)benzoate

  • Molecular FormulaC10H10D2O3
  • Average mass182.213 Da
  • Monoisotopic mass182.091202 Da
  • ChemSpider ID8640358

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Méthoxy(2,6-2H2)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic-2,6-d2 acid, 4-methoxy-, ethyl ester [ACD/Index Name]
Ethyl 4-methoxy(2,6-2H2)benzoate [ACD/IUPAC Name]
Ethyl-4-methoxy(2,6-2H2)benzoat [German] [ACD/IUPAC 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: 266.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 106.1±14.4 °C
Index of Refraction: 1.500
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.90
ACD/KOC (pH 5.5): 612.03
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.90
ACD/KOC (pH 7.4): 612.03
Polar Surface Area: 36 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 167.8±3.0 cm3

Click to predict properties on the Chemicalize site


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