Chemical Properties of 3,4-dihydro-2H-thiopyran-3-one

InChI

InChI=1S/C5H6OS/c7-5-2-1-3-6-4-5/h1,3H,2,4H2

InChI Key

FUTCFJQVPUDGAC-UHFFFAOYSA-N

Formula

C5H6OS

SMILES

S=C1CC=COC1

Molecular Weight¹

114.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.35; 235.69]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.07200e+01
Coefficient B			5.78390e-01
Coefficient C			-4.51780e-04
Coefficient D			1.39800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.35	J/mol×K	273.00	Calculated Property
Cp,gas	123.55	J/mol×K	353.78	Calculated Property
Cp,gas	146.78	J/mol×K	434.56	Calculated Property
Cp,gas	166.50	J/mol×K	515.33	Calculated Property
Cp,gas	183.14	J/mol×K	596.11	Calculated Property
Cp,gas	197.15	J/mol×K	676.89	Calculated Property
Cp,gas	208.96	J/mol×K	757.67	Calculated Property
Cp,gas	219.03	J/mol×K	838.44	Calculated Property
Cp,gas	227.79	J/mol×K	919.22	Calculated Property
Cp,gas	235.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-dihydro-2H-thiopyran-3-one.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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