ChemSpider 2D Image | 4-[(2,6-~2~H_2_)Phenyl](~2~H_6_)butanoic acid | C10H4D8O2

4-[(2,6-2H2)Phenyl](2H6)butanoic acid

  • Molecular FormulaC10H4D8O2
  • Average mass172.250 Da
  • Monoisotopic mass172.133942 Da
  • ChemSpider ID74014582

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[(2,6-2H2)Phenyl](2H6)butanoic acid [ACD/IUPAC Name]
4-[(2,6-2H2)Phenyl](2H6)butansäure [German] [ACD/IUPAC Name]
Acide 4-[(2,6-2H2)phényl](2H6)butanoïque [French] [ACD/IUPAC Name]
Benzene-2,6-d2-butanoic-d6 acid [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 290.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 187.9±13.9 °C
Index of Refraction: 1.535
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 4.97
ACD/KOC (pH 5.5): 64.34
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 37 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 149.9±3.0 cm3

Click to predict properties on the Chemicalize site


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