ChemSpider 2D Image | 2-(~2~H_3_)Methylbutanoic acid | C5H7D3O2

2-(2H3)Methylbutanoic acid

  • Molecular FormulaC5H7D3O2
  • Average mass105.150 Da
  • Monoisotopic mass105.086906 Da
  • ChemSpider ID28295718

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methylbutanoic acid [ACD/IUPAC Name]
2-(2H3)Methylbutansäure [German] [ACD/IUPAC Name]
Acide 2-(2H3)méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-(methyl-d3)- [ACD/Index Name]
(?)-2-Methyl-d3-butyric Acid
(±)-2-Methyl-d3-butyric Acid
95926-92-4 [RN]
DL-2-Methylbutyric Acid, Ethylmethylacetic Acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 175.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.7 mmHg at 25°C
Enthalpy of Vaporization: 45.4±6.0 kJ/mol
Flash Point: 73.9±0.0 °C
Index of Refraction: 1.418
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.12
ACD/LogD (pH 7.4): -1.40
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: 31.0±3.0 dyne/cm
Molar Volume: 106.1±3.0 cm3

Click to predict properties on the Chemicalize site


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