ChemSpider 2D Image | 2-(4-Methylphenyl)(3,3,3-~2~H_3_)propanoic acid | C10H9D3O2

2-(4-Methylphenyl)(3,3,3-2H3)propanoic acid

  • Molecular FormulaC10H9D3O2
  • Average mass167.220 Da
  • Monoisotopic mass167.102554 Da
  • ChemSpider ID34451822

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(4-Methylphenyl)(3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
2-(4-Methylphenyl)(3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-(4-méthylphényl)(3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-methyl-α-(methyl-d3)- [ACD/Index Name]
2-(4'-Methylphenyl)propionic acid D3
2-(4'-Methylphenyl)propionic acid D3 (3,3,3 D3)
3,3,3-trideuterio-2-(4-methylphenyl)propanoic acid
3,3,3-trideuterio-2-(p-tolyl)propanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 278.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 175.2±13.9 °C
Index of Refraction: 1.535
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.54
ACD/KOC (pH 5.5): 33.06
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 150.4±3.0 cm3

Click to predict properties on the Chemicalize site


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