ChemSpider 2D Image | Methyl 3,4-bis[(~2~H_3_)methyloxy]benzoate | C10H6D6O4

Methyl 3,4-bis[(2H3)methyloxy]benzoate

  • Molecular FormulaC10H6D6O4
  • Average mass202.237 Da
  • Monoisotopic mass202.111221 Da
  • ChemSpider ID107438190

  • Non-standard isotope - Non-standard isotope

More details:

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

3,4-Bis[(2H3)méthyloxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-bis(methyl-d3-oxy)-, methyl ester [ACD/Index Name]
Methyl 3,4-bis[(2H3)methyloxy]benzoate [ACD/IUPAC Name]
Methyl-3,4-bis[(2H3)methyloxy]benzoat [German] [ACD/IUPAC Name]
1006717-12-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 284.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.3±3.0 kJ/mol
Flash Point: 122.2±21.8 °C
Index of Refraction: 1.498
Molar Refractivity: 51.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.26
ACD/KOC (pH 5.5): 233.23
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.26
ACD/KOC (pH 7.4): 233.23
Polar Surface Area: 45 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 175.3±3.0 cm3

Click to predict properties on the Chemicalize site


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