Chemical Properties of 6-Thymolsulfonic acid (CAS 96-68-4)

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

230.28

CAS

96-68-4

Other Names

• 5-hydroxy-p-cymene-2-sulphonic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[441.69; 498.02]	J/mol×K	[684.98; 887.24]
Cp,gas	441.69	J/mol×K	684.98	Joback Calculated Property
Cp,gas	452.61	J/mol×K	718.69	Joback Calculated Property
Cp,gas	462.86	J/mol×K	752.40	Joback Calculated Property
Cp,gas	472.49	J/mol×K	786.11	Joback Calculated Property
Cp,gas	481.54	J/mol×K	819.82	Joback Calculated Property
Cp,gas	490.03	J/mol×K	853.53	Joback Calculated Property
Cp,gas	498.02	J/mol×K	887.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Thymolsulfonic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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