ChemSpider 2D Image | 3-Ethyl-3-isopropyldihydro-2(3H)-thiophenone | C9H16OS

3-Ethyl-3-isopropyldihydro-2(3H)-thiophenone

  • Molecular FormulaC9H16OS
  • Average mass172.288 Da
  • Monoisotopic mass172.092178 Da
  • ChemSpider ID24211530

More details:






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

2(3H)-Thiophenone, 3-ethyldihydro-3-(1-methylethyl)- [ACD/Index Name]
3-Ethyl-3-isopropyldihydro-2(3H)-thiophenon [German] [ACD/IUPAC Name]
3-Ethyl-3-isopropyldihydro-2(3H)-thiophenone [ACD/IUPAC Name]
3-Éthyl-3-isopropyldihydro-2(3H)-thiophénone [French] [ACD/IUPAC Name]
166265-18-5 [RN]
2(3H)-Thiophenone, 3-ethyldihydro-3-(1-methylethyl)- (9CI)
2(3H)-Thiophenone,3-ethyldihydro-3-(1-methylethyl)-(9CI)
3-ETHYL-3-(PROPAN-2-YL)THIOLAN-2-ONE
3-ethyl-3-isopropyldihydrothiophen-2(3H)-one
3-ETHYL-3-ISOPROPYLTHIOLAN-2-ONE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 250.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.7±3.0 kJ/mol
Flash Point: 98.1±12.3 °C
Index of Refraction: 1.489
Molar Refractivity: 49.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.00
ACD/KOC (pH 5.5): 899.45
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.00
ACD/KOC (pH 7.4): 899.45
Polar Surface Area: 42 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 172.8±3.0 cm3

Click to predict properties on the Chemicalize site






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