ChemSpider 2D Image | 5-(2-Ethylbutyl)-4-hydroxy-3,5-dimethyl-2(5H)-thiophenone | C12H20O2S

5-(2-Ethylbutyl)-4-hydroxy-3,5-dimethyl-2(5H)-thiophenone

  • Molecular FormulaC12H20O2S
  • Average mass228.351 Da
  • Monoisotopic mass228.118393 Da
  • ChemSpider ID21514055

More details:

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

2(5H)-Thiophenone, 5-(2-ethylbutyl)-4-hydroxy-3,5-dimethyl- [ACD/Index Name]
5-(2-Ethylbutyl)-4-hydroxy-3,5-dimethyl-2(5H)-thiophenon [German] [ACD/IUPAC Name]
5-(2-Ethylbutyl)-4-hydroxy-3,5-dimethyl-2(5H)-thiophenone [ACD/IUPAC Name]
5-(2-Éthylbutyl)-4-hydroxy-3,5-diméthyl-2(5H)-thiophénone [French] [ACD/IUPAC Name]
5-(2-Ethyl-butyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one
5-(2-Ethylbutyl)-4-hydroxy-3,5-dimethylthiophen-2(5H)-one
MFCD09031462 [MDL number]

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

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

Density: 1.1±0.1 g/cm3
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: 1.522
Molar Refractivity: 65.1±0.3 cm3
#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: 63 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 213.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement