ChemSpider 2D Image | Ethyl 6-[(3,5-difluorophenyl)sulfanyl]-2-oxohexanoate | C14H16F2O3S

Ethyl 6-[(3,5-difluorophenyl)sulfanyl]-2-oxohexanoate

  • Molecular FormulaC14H16F2O3S
  • Average mass302.337 Da
  • Monoisotopic mass302.078827 Da
  • ChemSpider ID71360189

More details:

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

6-[(3,5-Difluorophényl)sulfanyl]-2-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-[(3,5-difluorophenyl)sulfanyl]-2-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-[(3,5-difluorphenyl)sulfanyl]-2-oxohexanoat [German] [ACD/IUPAC Name]
Hexanoic acid, 6-[(3,5-difluorophenyl)thio]-2-oxo-, ethyl ester [ACD/Index Name]
6-(3,5-Difluorophenylthio)-2-oxo-hexanoic acid ethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 374.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.1±27.9 °C
Index of Refraction: 1.516
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 277.54
ACD/KOC (pH 5.5): 1952.27
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.54
ACD/KOC (pH 7.4): 1952.27
Polar Surface Area: 69 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 245.0±5.0 cm3

Click to predict properties on the Chemicalize site


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