ChemSpider 2D Image | 2-{4-[2-(~3~H_3_)Methyl(1,2,3,3,3-~3~H_5_)propyl]phenyl}(~3~H_4_)propanoic acid | C13H6T12O2

2-{4-[2-(3H3)Methyl(1,2,3,3,3-3H5)propyl]phenyl}(3H4)propanoic acid

  • Molecular FormulaC13H6T12O2
  • Average mass230.378 Da
  • Monoisotopic mass230.229370 Da
  • ChemSpider ID9811944

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{4-[2-(3H3)Methyl(1,2,3,3,3-3H5)propyl]phenyl}(3H4)propanoic acid [ACD/IUPAC Name]
2-{4-[2-(3H3)Methyl(1,2,3,3,3-3H5)propyl]phenyl}(3H4)propansäure [German] [ACD/IUPAC Name]
Acide 2-{4-[2-(3H3)méthyl(1,2,3,3,3-3H5)propyl]phényl}(3H4)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic-t acid, α-(methyl-t3)-4-[2-(methyl-t3)propyl-1,2,3,3,3-t5]- [ACD/Index Name]

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

Density:
Boiling Point: 319.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 216.7±14.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 16.17
ACD/KOC (pH 5.5): 122.42
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 37 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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