ChemSpider 2D Image | 3-(~2~H_3_)Methylhexanedioic acid | C7H9D3O4

3-(2H3)Methylhexanedioic acid

  • Molecular FormulaC7H9D3O4
  • Average mass163.186 Da
  • Monoisotopic mass163.092392 Da
  • ChemSpider ID128918004

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2H3)Methylhexandisäure [German] [ACD/IUPAC Name]
3-(2H3)Methylhexanedioic acid [ACD/IUPAC Name]
Acide 3-(2H3)méthylhexanedioïque [French] [ACD/IUPAC Name]
Hexanedioic acid, 3-(methyl-d3)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 341.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.3±6.0 kJ/mol
Flash Point: 170.6±16.9 °C
Index of Refraction: 1.474
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 133.7±3.0 cm3

Click to predict properties on the Chemicalize site


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