ChemSpider 2D Image | 2-(~2~H_3_)Methylhexanoic acid | C7H11D3O2

2-(2H3)Methylhexanoic acid

  • Molecular FormulaC7H11D3O2
  • Average mass133.203 Da
  • Monoisotopic mass133.118210 Da
  • ChemSpider ID115006618

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methylhexanoic acid [ACD/IUPAC Name]
2-(2H3)Methylhexansäure [German] [ACD/IUPAC Name]
Acide 2-(2H3)méthylhexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 2-(methyl-d3)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 215.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 49.8±6.0 kJ/mol
Flash Point: 105.6±0.0 °C
Index of Refraction: 1.431
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 4.31
ACD/KOC (pH 5.5): 60.10
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 139.1±3.0 cm3

Click to predict properties on the Chemicalize site


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