ChemSpider 2D Image | (2E)-3-{3,5-Dichloro-2-[3-(methylsulfonyl)propoxy]phenyl}acrylic acid | C13H14Cl2O5S

(2E)-3-{3,5-Dichloro-2-[3-(methylsulfonyl)propoxy]phenyl}acrylic acid

  • Molecular FormulaC13H14Cl2O5S
  • Average mass353.218 Da
  • Monoisotopic mass351.993896 Da
  • ChemSpider ID40288434

More details:

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

(2E)-3-{3,5-Dichlor-2-[3-(methylsulfonyl)propoxy]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{3,5-Dichloro-2-[3-(methylsulfonyl)propoxy]phenyl}acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[3,5-dichloro-2-[3-(methylsulfonyl)propoxy]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{3,5-dichloro-2-[3-(méthylsulfonyl)propoxy]phényl}acrylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 602.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 80.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 24.32
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

Click to predict properties on the Chemicalize site


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