ChemSpider 2D Image | 2-(5-Isopropyl-2-methyltetrahydrothiophen-2-yl)ethyl acetate | C12H22O2S

2-(5-Isopropyl-2-methyltetrahydrothiophen-2-yl)ethyl acetate

  • Molecular FormulaC12H22O2S
  • Average mass230.367 Da
  • Monoisotopic mass230.134048 Da
  • ChemSpider ID59703082

More details:

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

2-(5-Isopropyl-2-methyltetrahydro-2-thiophenyl)ethyl acetate
2-(5-Isopropyl-2-methyltetrahydro-2-thiophenyl)ethyl-acetat [German] [ACD/IUPAC Name]
2-(5-Isopropyl-2-methyltetrahydrothiophen-2-yl)ethyl acetate [ACD/IUPAC Name]
2-Thiopheneethanol, tetrahydro-2-methyl-5-(1-methylethyl)-, acetate [ACD/Index Name]
Acétate de 2-(5-isopropyl-2-méthyltétrahydro-2-thiophényl)éthyle [French] [ACD/IUPAC Name]
T5STJ B2OV1 B1 EY1&1 [WLN]
Tetrahydro-2-methyl-5-(1-methylethyl)-2-thiopheneethanol acetate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 287.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 119.4±7.9 °C
Index of Refraction: 1.474
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1068.31
ACD/KOC (pH 5.5): 5123.20
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1068.31
ACD/KOC (pH 7.4): 5123.20
Polar Surface Area: 52 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 232.8±3.0 cm3

Click to predict properties on the Chemicalize site


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