Chemical Properties of 2(5H)-Thiophenone (CAS 3354-32-3)

InChI

InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2

InChI Key

NMSLUAZZTFUUFZ-UHFFFAOYSA-N

Formula

C4H4OS

SMILES

O=C1C=CCS1

Molecular Weight¹

100.14

CAS

3354-32-3

Other Names

• 2,5-Dihydrothiophenone
• 2-Butenoic acid, 4-mercapto-, «gamma»-(thio lactone)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[115.48; 160.42]	J/mol×K	[425.88; 670.15]
Cp,gas	115.48	J/mol×K	425.88	Joback Calculated Property
Cp,gas	124.07	J/mol×K	466.59	Joback Calculated Property
Cp,gas	132.21	J/mol×K	507.30	Joback Calculated Property
Cp,gas	139.92	J/mol×K	548.01	Joback Calculated Property
Cp,gas	147.19	J/mol×K	588.73	Joback Calculated Property
Cp,gas	154.02	J/mol×K	629.44	Joback Calculated Property
Cp,gas	160.42	J/mol×K	670.15	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2(5H)-Thiophenone.

Sources

• 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
• A calorimetric and computational study on the thermochemistry of 2-(5H)-furanone and 2-(5H)-thiophenone
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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