ChemSpider 2D Image | 3-Methyl(2,2,4,4-~2~H_4_)pentanedioic acid | C6H6D4O4

3-Methyl(2,2,4,4-2H4)pentanedioic acid

  • Molecular FormulaC6H6D4O4
  • Average mass150.166 Da
  • Monoisotopic mass150.083023 Da
  • ChemSpider ID24533496
  • Non-standard isotope - Non-standard isotope


More details:






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

3-Methyl(2,2,4,4-2H4)pentandisäure [German] [ACD/IUPAC Name]
3-Methyl(2,2,4,4-2H4)pentanedioic acid [ACD/IUPAC Name]
Acide 3-méthyl(2,2,4,4-2H4)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic-2,2,4,4-d4 acid, 3-methyl- [ACD/Index Name]
1219798-68-1 [RN]
2-Methylpropane-1,3-dicarboxylic acid
3-Methylglutaric acid
3-Methylpentanedioic-2,2,4,4-d4 Acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 299.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.3±6.0 kJ/mol
Flash Point: 148.8±16.3 °C
Index of Refraction: 1.474
Molar Refractivity: 32.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 117.2±3.0 cm3

Click to predict properties on the Chemicalize site






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