ChemSpider 2D Image | (2S)-Acetoxy(2-chlorophenyl)acetic acid | C10H9ClO4

(2S)-Acetoxy(2-chlorophenyl)acetic acid

  • Molecular FormulaC10H9ClO4
  • Average mass228.629 Da
  • Monoisotopic mass228.018936 Da
  • ChemSpider ID35034345

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2s)-(Acetyloxy)(2-Chlorophenyl)ethanoic Acid
(2S)-Acetoxy(2-chlorophenyl)acetic acid [ACD/IUPAC Name]
(2S)-Acetoxy(2-chlorphenyl)essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-acétoxy(2-chlorophényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(acetyloxy)-2-chloro-, (αS)- [ACD/Index Name]
s2t

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

Density: 1.4±0.1 g/cm3
Boiling Point: 346.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 163.1±25.1 °C
Index of Refraction: 1.555
Molar Refractivity: 53.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 166.1±3.0 cm3

Click to predict properties on the Chemicalize site


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