Chemical Properties of 4-Tert-butylphenyl benzene sulfonate (CAS 160788-98-7)

InChI

InChI=1S/C16H18O3S/c1-16(2,3)13-9-11-14(12-10-13)19-20(17,18)15-7-5-4-6-8-15/h4-12H,1-3H3

InChI Key

GLHUQIUKLSAEEK-UHFFFAOYSA-N

Formula

C16H18O3S

SMILES

CC(C)(C)c1ccc(OS(=O)(=O)c2ccccc2)cc1

Molecular Weight¹

290.38

CAS

160788-98-7

• 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	[591.10; 675.48]	J/mol×K	[690.79; 921.71]
Cp,gas	591.10	J/mol×K	690.79	Joback Calculated Property
Cp,gas	608.60	J/mol×K	729.28	Joback Calculated Property
Cp,gas	624.66	J/mol×K	767.76	Joback Calculated Property
Cp,gas	639.32	J/mol×K	806.25	Joback Calculated Property
Cp,gas	652.64	J/mol×K	844.74	Joback Calculated Property
Cp,gas	664.67	J/mol×K	883.22	Joback Calculated Property
Cp,gas	675.48	J/mol×K	921.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Tert-butylphenyl benzene sulfonate.

Sources

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

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