ChemSpider 2D Image | 2-(~2~H_3_)Methyl(~2~H_6_)butanoic acid | C5HD9O2

2-(2H3)Methyl(2H6)butanoic acid

  • Molecular FormulaC5HD9O2
  • Average mass111.187 Da
  • Monoisotopic mass111.124573 Da
  • ChemSpider ID24532722
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(2H3)Methyl(2H6)butanoic acid [ACD/IUPAC Name]
2-(2H3)Methyl(2H6)butansäure [German] [ACD/IUPAC Name]
Acide 2-(2H3)méthyl(2H6)butanoïque [French] [ACD/IUPAC Name]
Butanoic-2,3,3,4,4,4-d6 acid, 2-(methyl-d3)- [ACD/Index Name]
(?)-2-Methylbutyric-d9 Acid
(±)-2-Methylbutyric-d9 Acid
2-METHYLBUTYRIC-D9 ACID
352431-44-8 [RN]
DL-2-Methylbutyric Acid, Ethylmethylacetic Acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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