Chemical Properties of Benzoic acid, thio-2,2'-di (CAS 22219-02-9)

InChI

InChI=1S/C14H10O4S/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChI Key

BDUPKZTWQYDOGC-UHFFFAOYSA-N

Formula

C14H10O4S

SMILES

O=C(O)c1ccccc1Sc1ccccc1C(=O)O

Molecular Weight¹

274.29

CAS

22219-02-9

• 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).
• 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	[530.84; 560.81]	J/mol×K	[943.92; 1177.65]
Cp,gas	530.84	J/mol×K	943.92	Joback Calculated Property
Cp,gas	537.69	J/mol×K	982.87	Joback Calculated Property
Cp,gas	543.73	J/mol×K	1021.83	Joback Calculated Property
Cp,gas	549.02	J/mol×K	1060.78	Joback Calculated Property
Cp,gas	553.60	J/mol×K	1099.74	Joback Calculated Property
Cp,gas	557.51	J/mol×K	1138.69	Joback Calculated Property
Cp,gas	560.81	J/mol×K	1177.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, thio-2,2'-di.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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