ChemSpider 2D Image | 4-Methyl-3-[(~2~H_3_)methyloxy]benzoic acid | C9H7D3O3

4-Methyl-3-[(2H3)methyloxy]benzoic acid

  • Molecular FormulaC9H7D3O3
  • Average mass169.192 Da
  • Monoisotopic mass169.081818 Da
  • ChemSpider ID112713384

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Methyl-3-[(2H3)methyloxy]benzoesäure [German] [ACD/IUPAC Name]
4-Methyl-3-[(2H3)methyloxy]benzoic acid [ACD/IUPAC Name]
Acide 4-méthyl-3-[(2H3)méthyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-3-(methyl-d3-oxy)- [ACD/Index Name]
2751967-08-3 [RN]
4-Methyl-3-D3-methoxybenzoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 309.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 126.2±15.8 °C
Index of Refraction: 1.541
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 20.73
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 142.2±3.0 cm3

Click to predict properties on the Chemicalize site


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