ChemSpider 2D Image | ETHYL 4-(ACETYLTHIO)BUTYRATE | C8H14O3S

ETHYL 4-(ACETYLTHIO)BUTYRATE

  • Molecular FormulaC8H14O3S
  • Average mass190.260 Da
  • Monoisotopic mass190.066360 Da
  • ChemSpider ID21105893

More details:






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

104228-51-5 [RN]
2OV3SV1 [WLN]
4-(Acétylsulfanyl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(acetylthio)-, ethyl ester [ACD/Index Name]
Ethyl 4-(acetylsulfanyl)butanoate [ACD/IUPAC Name]
Ethyl 4-(acetylthio)butanoate
ETHYL 4-(ACETYLTHIO)BUTYRATE
Ethyl-4-(acetylsulfanyl)butanoat [German] [ACD/IUPAC Name]
ETHYL4-(ACETYLTHIO)BUTYRATE

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

9579R62878 [DBID]
UNII:9579R62878 [DBID]
UNII-9579R62878 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 257.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 111.0±10.6 °C
Index of Refraction: 1.470
Molar Refractivity: 48.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.08
ACD/KOC (pH 5.5): 231.14
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.08
ACD/KOC (pH 7.4): 231.14
Polar Surface Area: 69 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 175.2±3.0 cm3

Click to predict properties on the Chemicalize site






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