Chemical Properties of 3,4-Dimethylthiophene-2,5-dione (CAS 10547-83-8)

InChI

InChI=1S/C6H6O2S/c1-3-4(2)6(8)9-5(3)7/h1-2H3

InChI Key

QINKKBMLWVZGGQ-UHFFFAOYSA-N

Formula

C6H6O2S

SMILES

CC1=C(C)C(=O)SC1=O

Molecular Weight¹

142.18

CAS

10547-83-8

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

Physical Properties

Cheméo can also estimate 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, 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	[133.18; 292.72]	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			6.20700e+01
Coefficient B			2.34850e-01
Coefficient C			1.30700e-04
Coefficient D			-1.34900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.18	J/mol×K	273.00	Calculated Property
Cp,gas	155.54	J/mol×K	353.78	Calculated Property
Cp,gas	177.74	J/mol×K	434.56	Calculated Property
Cp,gas	199.34	J/mol×K	515.33	Calculated Property
Cp,gas	219.94	J/mol×K	596.11	Calculated Property
Cp,gas	239.08	J/mol×K	676.89	Calculated Property
Cp,gas	256.36	J/mol×K	757.67	Calculated Property
Cp,gas	271.35	J/mol×K	838.44	Calculated Property
Cp,gas	283.61	J/mol×K	919.22	Calculated Property
Cp,gas	292.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethylthiophene-2,5-dione.

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

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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