ChemSpider 2D Image | (2S)-2-(4-Chloro-3,5-dimethylphenoxy)butanoic acid | C12H15ClO3

(2S)-2-(4-Chloro-3,5-dimethylphenoxy)butanoic acid

  • Molecular FormulaC12H15ClO3
  • Average mass242.699 Da
  • Monoisotopic mass242.070969 Da
  • ChemSpider ID98606816

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Chlor-3,5-dimethylphenoxy)butansäure [German] [ACD/IUPAC Name]
(2S)-2-(4-Chloro-3,5-dimethylphenoxy)butanoic acid [ACD/IUPAC Name]
Acide (2S)-2-(4-chloro-3,5-diméthylphénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-(4-chloro-3,5-dimethylphenoxy)-, (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: 370.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 178.0±26.5 °C
Index of Refraction: 1.534
Molar Refractivity: 62.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 10.14
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 202.5±3.0 cm3

Click to predict properties on the Chemicalize site


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