ChemSpider 2D Image | Ethyl tetrahydro-2H-thiopyran-3-carboxylate | C8H14O2S

Ethyl tetrahydro-2H-thiopyran-3-carboxylate

  • Molecular FormulaC8H14O2S
  • Average mass174.261 Da
  • Monoisotopic mass174.071457 Da
  • ChemSpider ID29278718

More details:

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

2H-Thiopyran-3-carboxylic acid, tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl tetrahydro-2H-thiopyran-3-carboxylate [ACD/IUPAC Name]
Ethyl-tetrahydro-2H-thiopyran-3-carboxylat [German] [ACD/IUPAC Name]
Tétrahydro-2H-thiopyrane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
90113-21-6 [RN]
ETHYL THIANE-3-CARBOXYLATE
MFCD22665819

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

Density: 1.1±0.1 g/cm3
Boiling Point: 244.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 105.3±13.4 °C
Index of Refraction: 1.497
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.94
ACD/KOC (pH 5.5): 604.37
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.94
ACD/KOC (pH 7.4): 604.37
Polar Surface Area: 52 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 160.1±3.0 cm3

Click to predict properties on the Chemicalize site


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