ChemSpider 2D Image | 2-(4-Butylphenyl)(3,3,3-~2~H_3_)propanoic acid | C13H15D3O2

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

  • Molecular FormulaC13H15D3O2
  • Average mass209.299 Da
  • Monoisotopic mass209.149506 Da
  • ChemSpider ID76842802

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(4-Butylphenyl)(3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
2-(4-Butylphenyl)(3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-(4-butylphényl)(3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-butyl-α-(methyl-d3)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 325.8±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 222.8±14.4 °C
Index of Refraction: 1.520
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 21.24
ACD/KOC (pH 5.5): 150.84
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.39
Polar Surface Area: 37 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 200.0±3.0 cm3

Click to predict properties on the Chemicalize site


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