ChemSpider 2D Image | 2-[(~2~H_3_)Methyloxy]benzoic acid | C8H5D3O3

2-[(2H3)Methyloxy]benzoic acid

  • Molecular FormulaC8H5D3O3
  • Average mass155.166 Da
  • Monoisotopic mass155.066177 Da
  • ChemSpider ID48061224

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(2H3)Methyloxy]benzoesäure [German] [ACD/IUPAC Name]
2-[(2H3)Methyloxy]benzoic acid [ACD/IUPAC Name]
Acide 2-[(2H3)méthyloxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(methyl-d3-oxy)- [ACD/Index Name]
2-(Methoxy-d3)benzoic acid
96739-36-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 279.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 116.3±13.3 °C
Index of Refraction: 1.546
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.36
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 126.0±3.0 cm3

Click to predict properties on the Chemicalize site


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