ChemSpider 2D Image | 2-Hydroxy-5-(~2~H_3_)methyl(~2~H_3_)benzoic acid | C8H2D6O3

2-Hydroxy-5-(2H3)methyl(2H3)benzoic acid

  • Molecular FormulaC8H2D6O3
  • Average mass158.184 Da
  • Monoisotopic mass158.085007 Da
  • ChemSpider ID107439119

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Hydroxy-5-(2H3)methyl(2H3)benzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-5-(2H3)methyl(2H3)benzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-5-(2H3)méthyl(2H3)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,4,5-d3 acid, 6-hydroxy-3-(methyl-d3)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 299.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 149.3±20.5 °C
Index of Refraction: 1.600
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 116.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement