ChemSpider 2D Image | 2-(2-Ethylbutyl)-2,4-dimethyl-5-oxo-2,5-dihydro-3-thiophenolate | C12H19O2S

2-(2-Ethylbutyl)-2,4-dimethyl-5-oxo-2,5-dihydro-3-thiophenolate

  • Molecular FormulaC12H19O2S
  • Average mass227.344 Da
  • Monoisotopic mass227.111130 Da
  • ChemSpider ID21435499

  • Charge - Charge

More details:

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

2-(2-Ethylbutyl)-2,4-dimethyl-5-oxo-2,5-dihydro-3-thiophenolat [German] [ACD/IUPAC Name]
2-(2-Ethylbutyl)-2,4-dimethyl-5-oxo-2,5-dihydro-3-thiophenolate [ACD/IUPAC Name]
2-(2-Éthylbutyl)-2,4-diméthyl-5-oxo-2,5-dihydro-3-thiophénolate [French] [ACD/IUPAC Name]
2(5H)-Thiophenone, 5-(2-ethylbutyl)-4-hydroxy-3,5-dimethyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 328.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.2±6.0 kJ/mol
Flash Point: 152.7±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 26.04
ACD/KOC (pH 5.5): 181.71
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.13
Polar Surface Area: 65 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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