ChemSpider 2D Image | (2S)-2-(3,4-Dichlorophenoxy)propanoic acid | C9H8Cl2O3

(2S)-2-(3,4-Dichlorophenoxy)propanoic acid

  • Molecular FormulaC9H8Cl2O3
  • Average mass235.064 Da
  • Monoisotopic mass233.985046 Da
  • ChemSpider ID24591570

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3,4-Dichlorophenoxy)propanoic acid [ACD/IUPAC Name]
(2S)-2-(3,4-Dichlorphenoxy)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(3,4-dichlorophénoxy)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-(3,4-dichlorophenoxy)-, (2S)- [ACD/Index Name]
(-)-2-(3,4-Dichlorophenoxy)propionic acid
(S)-2-(3,4-Dichlorophenoxy)propanoic acid
33995-26-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 353.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 167.6±23.7 °C
Index of Refraction: 1.561
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.17
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 165.4±3.0 cm3

Click to predict properties on the Chemicalize site


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