ChemSpider 2D Image | Methyl 5-({[3-(ethylsulfanyl)propanoyl]oxy}methyl)-3-methyl-2-furoate | C13H18O5S

Methyl 5-({[3-(ethylsulfanyl)propanoyl]oxy}methyl)-3-methyl-2-furoate

  • Molecular FormulaC13H18O5S
  • Average mass286.344 Da
  • Monoisotopic mass286.087494 Da
  • ChemSpider ID30232697

More details:

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

2-Furancarboxylic acid, 5-[[3-(ethylthio)-1-oxopropoxy]methyl]-3-methyl-, methyl ester [ACD/Index Name]
5-({[3-(Éthylsulfanyl)propanoyl]oxy}méthyl)-3-méthyl-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-({[3-(ethylsulfanyl)propanoyl]oxy}methyl)-3-methyl-2-furoate [ACD/IUPAC Name]
Methyl-5-({[3-(ethylsulfanyl)propanoyl]oxy}methyl)-3-methyl-2-furoat [German] [ACD/IUPAC Name]
METHYL 5-({[3-(ETHYLSULFANYL)PROPANOYL]OXY}METHYL)-3-METHYLFURAN-2-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 399.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.2±27.9 °C
Index of Refraction: 1.513
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.97
ACD/KOC (pH 5.5): 1032.45
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.97
ACD/KOC (pH 7.4): 1032.45
Polar Surface Area: 91 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 242.7±3.0 cm3

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