ChemSpider 2D Image | (2S)-2-(4-Chloro-3-methylphenoxy)butanoic acid | C11H13ClO3

(2S)-2-(4-Chloro-3-methylphenoxy)butanoic acid

  • Molecular FormulaC11H13ClO3
  • Average mass228.672 Da
  • Monoisotopic mass228.055328 Da
  • ChemSpider ID98606815

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Chlor-3-methylphenoxy)butansäure [German] [ACD/IUPAC Name]
(2S)-2-(4-Chloro-3-methylphenoxy)butanoic acid [ACD/IUPAC Name]
Acide (2S)-2-(4-chloro-3-méthylphénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-(4-chloro-3-methylphenoxy)-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 351.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 166.5±23.7 °C
Index of Refraction: 1.536
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 7.64
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 186.2±3.0 cm3

Click to predict properties on the Chemicalize site


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