ChemSpider 2D Image | Diethyl (2E,4E)-3-(phenylsulfonyl)-2,4-hexadienedioate | C16H18O6S

Diethyl (2E,4E)-3-(phenylsulfonyl)-2,4-hexadienedioate

  • Molecular FormulaC16H18O6S
  • Average mass338.375 Da
  • Monoisotopic mass338.082397 Da
  • ChemSpider ID120330644

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-3-(Phénylsulfonyl)-2,4-hexadiènedioate de diéthyle [French] [ACD/IUPAC Name]
2,4-Hexadienedioic acid, 3-(phenylsulfonyl)-, diethyl ester, (2E,4E)- [ACD/Index Name]
Diethyl (2E,4E)-3-(phenylsulfonyl)-2,4-hexadienedioate [ACD/IUPAC Name]
Diethyl-(2E,4E)-3-(phenylsulfonyl)-2,4-hexadiendioat [German] [ACD/IUPAC 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: 508.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.2±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 85.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.42
ACD/KOC (pH 5.5): 465.16
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.42
ACD/KOC (pH 7.4): 465.16
Polar Surface Area: 95 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 273.8±3.0 cm3

Click to predict properties on the Chemicalize site


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