ChemSpider 2D Image | 3,3-Bis[(~2~H_3_)methyl](4,4,4-~2~H_3_)butanoic acid | C6H3D9O2

3,3-Bis[(2H3)methyl](4,4,4-2H3)butanoic acid

  • Molecular FormulaC6H3D9O2
  • Average mass125.214 Da
  • Monoisotopic mass125.140221 Da
  • ChemSpider ID107438408

  • Non-standard isotope - Non-standard isotope

More details:

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

3,3-Bis[(2H3)methyl](4,4,4-2H3)butanoic acid [ACD/IUPAC Name]
3,3-Bis[(2H3)methyl](4,4,4-2H3)butansäure [German] [ACD/IUPAC Name]
Acide 3,3-bis[(2H3)méthyl](4,4,4-2H3)butanoïque [French] [ACD/IUPAC Name]
Butanoic-4,4,4-d3 acid, 3,3-di(methyl-d3)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 187.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.7 mmHg at 25°C
Enthalpy of Vaporization: 46.7±6.0 kJ/mol
Flash Point: 88.9±0.0 °C
Index of Refraction: 1.427
Molar Refractivity: 31.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 34.10
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 122.3±3.0 cm3

Click to predict properties on the Chemicalize site


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