ChemSpider 2D Image | 2,6-Bis[(~2~H_3_)methyl]benzoic acid | C9H4D6O2

2,6-Bis[(2H3)methyl]benzoic acid

  • Molecular FormulaC9H4D6O2
  • Average mass156.212 Da
  • Monoisotopic mass156.105743 Da
  • ChemSpider ID48059862
  • Non-standard isotope - Non-standard isotope


More details:






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

2,6-Bis[(2H3)methyl]benzoesäure [German] [ACD/IUPAC Name]
2,6-Bis[(2H3)methyl]benzoic acid [ACD/IUPAC Name]
Acide 2,6-bis[(2H3)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,6-di(methyl-d3)- [ACD/Index Name]
2,6-Dimethylbenzoic Acid-d6
58310-17-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 272.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 126.1±13.4 °C
Index of Refraction: 1.550
Molar Refractivity: 42.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.83
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 134.5±3.0 cm3

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