ChemSpider 2D Image | 3-(~2~H_3_)Methyl(~2~H_4_)benzoic acid | C8HD7O2

3-(2H3)Methyl(2H4)benzoic acid

  • Molecular FormulaC8HD7O2
  • Average mass143.191 Da
  • Monoisotopic mass143.096375 Da
  • ChemSpider ID24533065
  • Non-standard isotope - Non-standard isotope


More details:






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

3-(2H3)Methyl(2H4)benzoesäure [German] [ACD/IUPAC Name]
3-(2H3)Methyl(2H4)benzoic acid [ACD/IUPAC Name]
Acide 3-(2H3)méthyl(2H4)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,4,6-d4 acid, 5-(methyl-d3)- [ACD/Index Name]
733046-94-1 [RN]
Benzoic-2,3,4,6-d4acid, 5-(methyl-d3)- (9CI)
m-Toluic-d7 Acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 263.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 120.0±13.4 °C
Index of Refraction: 1.556
Molar Refractivity: 38.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 25.53
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 118.2±3.0 cm3

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