ChemSpider 2D Image | Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate | C18H24O5S

Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate

  • Molecular FormulaC18H24O5S
  • Average mass352.445 Da
  • Monoisotopic mass352.134430 Da
  • ChemSpider ID28674248

More details:

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

4-Formyl-4-[2-(phénylsulfanyl)éthyl]heptanedioate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate [ACD/IUPAC Name]
Dimethyl-4-formyl-4-[2-(phenylsulfanyl)ethyl]heptandioat [German] [ACD/IUPAC Name]
Heptanedioic acid, 4-formyl-4-[2-(phenylthio)ethyl]-, dimethyl ester [ACD/Index Name]
113541-83-6 [RN]
Dimethyl 4-formyl-4-(2-(phenylthio)ethyl)heptanedioate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 229.1±16.7 °C
Index of Refraction: 1.533
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 241.31
ACD/KOC (pH 5.5): 1766.25
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.31
ACD/KOC (pH 7.4): 1766.25
Polar Surface Area: 95 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 304.4±5.0 cm3

Click to predict properties on the Chemicalize site


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