ChemSpider 2D Image | (2R)-2-{4-[2-Methyl(1,2-~3~H_2_)propyl]phenyl}propanoic acid | C13H16T2O2

(2R)-2-{4-[2-Methyl(1,2-3H2)propyl]phenyl}propanoic acid

  • Molecular FormulaC13H16T2O2
  • Average mass210.297 Da
  • Monoisotopic mass210.147125 Da
  • ChemSpider ID9847664

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2-{4-[2-Methyl(1,2-3H2)propyl]phenyl}propanoic acid [ACD/IUPAC Name]
(2R)-2-{4-[2-Methyl(1,2-3H2)propyl]phenyl}propansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-{4-[2-méthyl(1,2-3H2)propyl]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-4-(2-methylpropyl-1,2-t2)-, (αR)- [ACD/Index Name]

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

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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