ChemSpider 2D Image | 3-(~2~H_3_)Methyl(~2~H_8_)pentanoic acid | C6HD11O2

3-(2H3)Methyl(2H8)pentanoic acid

  • Molecular FormulaC6HD11O2
  • Average mass127.226 Da
  • Monoisotopic mass127.152771 Da
  • ChemSpider ID30773468

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2H3)Methyl(2H8)pentanoic acid [ACD/IUPAC Name]
3-(2H3)Methyl(2H8)pentansäure [German] [ACD/IUPAC Name]
Acide 3-(2H3)méthyl(2H8)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic-2,2,3,4,4,5,5,5-d8 acid, 3-(methyl-d3)- [ACD/Index Name]
(?)-3-Methylpentanoic-d11 Acid
(?)-3-Methylvaleric acid
(±)-3-Methylpentanoic-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: 199.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.0±6.0 kJ/mol
Flash Point: 85.0±0.0 °C
Index of Refraction: 1.425
Molar Refractivity: 31.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 24.55
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: 12.4±0.5 10-24cm3
Surface Tension: 31.3±3.0 dyne/cm
Molar Volume: 122.6±3.0 cm3

Click to predict properties on the Chemicalize site


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