Chemical Properties of 6-Thymolsulfonic acid

InChI

InChI=1S/C10H14O4S/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11/h4-6,11H,1-3H3,(H,12,13,14)

InChI Key

LYWNNXMNOSKLHY-UHFFFAOYSA-N

Formula

C10H14O4S

SMILES

Cc1cc(O)c(C(C)C)cc1S(=O)(=O)O

Molecular Weight¹

230.29

Other Names

• 5-hydroxy-p-cymene-2-sulphonic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[240.55; 521.49]	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			1.64200e+01
Coefficient B			9.84050e-01
Coefficient C			-6.41680e-04
Coefficient D			1.62700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.55	J/mol×K	273.00	Calculated Property
Cp,gas	291.45	J/mol×K	353.78	Calculated Property
Cp,gas	336.22	J/mol×K	434.56	Calculated Property
Cp,gas	375.39	J/mol×K	515.33	Calculated Property
Cp,gas	409.47	J/mol×K	596.11	Calculated Property
Cp,gas	438.97	J/mol×K	676.89	Calculated Property
Cp,gas	464.41	J/mol×K	757.67	Calculated Property
Cp,gas	486.30	J/mol×K	838.44	Calculated Property
Cp,gas	505.15	J/mol×K	919.22	Calculated Property
Cp,gas	521.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6-Thymolsulfonic acid.

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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