ChemSpider 2D Image | [4-Isobutyl-2-(~2~H_3_)methylphenyl]acetic acid | C13H15D3O2

[4-Isobutyl-2-(2H3)methylphenyl]acetic acid

  • Molecular FormulaC13H15D3O2
  • Average mass209.299 Da
  • Monoisotopic mass209.149506 Da
  • ChemSpider ID129175166

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-Isobutyl-2-(2H3)methylphenyl]acetic acid [ACD/IUPAC Name]
[4-Isobutyl-2-(2H3)methylphenyl]essigsäure [German] [ACD/IUPAC Name]
Acide [4-isobutyl-2-(2H3)méthylphényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-(methyl-d3)-4-(2-methylpropyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 329.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 226.7±14.4 °C
Index of Refraction: 1.524
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 30.68
ACD/KOC (pH 5.5): 188.88
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 37 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 199.4±3.0 cm3

Click to predict properties on the Chemicalize site


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