ChemSpider 2D Image | Ethyl (3S)-3-(ethylsulfanyl)butanoate | C8H16O2S

Ethyl (3S)-3-(ethylsulfanyl)butanoate

  • Molecular FormulaC8H16O2S
  • Average mass176.276 Da
  • Monoisotopic mass176.087097 Da
  • ChemSpider ID34990821

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Éthylsulfanyl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-(ethylthio)-, ethyl ester, (3S)- [ACD/Index Name]
Ethyl (3S)-3-(ethylsulfanyl)butanoate [ACD/IUPAC Name]
Ethyl-(3S)-3-(ethylsulfanyl)butanoat [German] [ACD/IUPAC Name]
290-671-8 [EINECS]
90201-28-8 [RN]
Ethyl 3-(ethylthio)butyrate [ACD/IUPAC Name]
UNII-GTO77Z933P

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

Density: 1.0±0.1 g/cm3
Boiling Point: 233.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.0±3.0 kJ/mol
Flash Point: 95.0±10.6 °C
Index of Refraction: 1.460
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.46
ACD/KOC (pH 5.5): 517.79
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.46
ACD/KOC (pH 7.4): 517.79
Polar Surface Area: 52 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 178.4±3.0 cm3

Click to predict properties on the Chemicalize site


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