ChemSpider 2D Image | 2,2-Bis[(~2~H_3_)methyl](~2~H_5_)butanoic acid | C6HD11O2

2,2-Bis[(2H3)methyl](2H5)butanoic acid

  • Molecular FormulaC6HD11O2
  • Average mass127.226 Da
  • Monoisotopic mass127.152771 Da
  • ChemSpider ID24533195

  • Non-standard isotope - Non-standard isotope

More details:

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

2,2-Bis[(2H3)methyl](2H5)butanoic acid [ACD/IUPAC Name]
2,2-Bis[(2H3)methyl](2H5)butansäure [German] [ACD/IUPAC Name]
Acide 2,2-bis[(2H3)méthyl](2H5)butanoïque [French] [ACD/IUPAC Name]
Butanoic-3,3,4,4,4-d5 acid, 2,2-di(methyl-d3)- [ACD/Index Name]
1219804-04-2 [RN]
2,2-Dimethylbutyric-d11 Acid

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: 79.4±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): 1.07
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 46.25
ACD/LogD (pH 7.4): -0.70
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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