Chemical Properties of Trans-1,2-cyclopentanediol bis-p-toluene sulfonate (CAS 116401-17-3)

InChI

InChI=1S/C19H22O6S2/c1-14-6-10-16(11-7-14)26(20,21)24-18-4-3-5-19(18)25-27(22,23)17-12-8-15(2)9-13-17/h6-13,18-19H,3-5H2,1-2H3

InChI Key

MIHIJVTXAJWZIP-UHFFFAOYSA-N

Formula

C19H22O6S2

SMILES

Cc1ccc(S(=O)(=O)OC2CCCC2OS(=O)(=O)c2ccc(C)cc2)cc1

Molecular Weight¹

410.50

CAS

116401-17-3

• 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	[870.06; 935.66]	J/mol×K	[848.45; 1073.44]
Cp,gas	870.06	J/mol×K	848.45	Joback Calculated Property
Cp,gas	885.78	J/mol×K	885.95	Joback Calculated Property
Cp,gas	899.59	J/mol×K	923.45	Joback Calculated Property
Cp,gas	911.49	J/mol×K	960.95	Joback Calculated Property
Cp,gas	921.47	J/mol×K	998.45	Joback Calculated Property
Cp,gas	929.53	J/mol×K	1035.94	Joback Calculated Property
Cp,gas	935.66	J/mol×K	1073.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trans-1,2-cyclopentanediol bis-p-toluene sulfonate.

Sources

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

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