ChemSpider 2D Image | 2-Methyl-2-(~2~H_3_)methyl(~2~H_3_)propanoic acid | C5H4D6O2

2-Methyl-2-(2H3)methyl(2H3)propanoic acid

  • Molecular FormulaC5H4D6O2
  • Average mass108.169 Da
  • Monoisotopic mass108.105743 Da
  • ChemSpider ID48063273

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Methyl-2-(2H3)methyl(2H3)propanoic acid [ACD/IUPAC Name]
2-Methyl-2-(2H3)methyl(2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-méthyl-2-(2H3)méthyl(2H3)propanoïque [French] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, 2-methyl-2-(methyl-d3)- [ACD/Index Name]
3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoic acid
95926-89-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 166.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.4±6.0 kJ/mol
Flash Point: 68.3±9.8 °C
Index of Refraction: 1.420
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 27.19
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 30.2±3.0 dyne/cm
Molar Volume: 105.7±3.0 cm3

Click to predict properties on the Chemicalize site


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