ChemSpider 2D Image | 2,3-Dimethyl-1,2,3-butanetricarboxylic acid | C9H14O6

2,3-Dimethyl-1,2,3-butanetricarboxylic acid

  • Molecular FormulaC9H14O6
  • Average mass218.204 Da
  • Monoisotopic mass218.079041 Da
  • ChemSpider ID21108578

More details:

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

1,2,3-Butanetricarboxylic acid, 2,3-dimethyl- [ACD/Index Name]
2,3-Dimethyl-1,2,3-butanetricarboxylic acid [ACD/IUPAC Name]
2,3-Dimethyl-1,2,3-butantricarbonsäure [German] [ACD/IUPAC Name]
Acide 2,3-diméthyl-1,2,3-butanetricarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 291.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.4±6.0 kJ/mol
Flash Point: 144.3±18.3 °C
Index of Refraction: 1.512
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 161.1±3.0 cm3

Click to predict properties on the Chemicalize site


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