ChemSpider 2D Image | 4-[2-(~2~H_3_)Methyl(~2~H_6_)-2-propanyl](~2~H_4_)benzoic acid | C11HD13O2

4-[2-(2H3)Methyl(2H6)-2-propanyl](2H4)benzoic acid

  • Molecular FormulaC11HD13O2
  • Average mass191.308 Da
  • Monoisotopic mass191.180984 Da
  • ChemSpider ID30773504

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[2-(2H3)Methyl(2H6)-2-propanyl](2H4)benzoesäure [German] [ACD/IUPAC Name]
4-[2-(2H3)Methyl(2H6)-2-propanyl](2H4)benzoic acid [ACD/IUPAC Name]
Acide 4-[2-(2H3)méthyl(2H6)-2-propanyl](2H4)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-[1,1-di(methyl-d3)ethyl-2,2,2-d3]- [ACD/Index Name]
4-tert-Butylbenzoic-d13 Acid
p-tert-Butylbenzoic 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: 283.3±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 134.9±16.2 °C
Index of Refraction: 1.524
Molar Refractivity: 51.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 28.18
ACD/KOC (pH 5.5): 181.59
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.17
Polar Surface Area: 37 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 168.7±3.0 cm3

Click to predict properties on the Chemicalize site


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