ChemSpider 2D Image | (2S)-2-(4-Isobutylphenyl)(2-~2~H)propanoic acid | C13H17DO2

(2S)-2-(4-Isobutylphenyl)(2-2H)propanoic acid

  • Molecular FormulaC13H17DO2
  • Average mass207.287 Da
  • Monoisotopic mass207.136963 Da
  • ChemSpider ID10132256

  • 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

(2S)-2-(4-Isobutylphenyl)(2-2H)propanoic acid [ACD/IUPAC Name]
(2S)-2-(4-Isobutylphenyl)(2-2H)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(4-isobutylphényl)(2-2H)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic-d acid, α-methyl-4-(2-methylpropyl)-, (αS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
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: 1.519
Molar Refractivity: 60.8±0.3 cm3
#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: 24.1±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 200.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement