Chemical Properties of Trans-1,2-cyclopentanediol bis-p-toluene sulfonate

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

410.51

• 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).
• 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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[870.15; 935.70]	J/mol×K	[848.65; 1073.70]
Cp,gas	870.15	J/mol×K	848.65	Joback Calculated Property
Cp,gas	885.87	J/mol×K	886.16	Joback Calculated Property
Cp,gas	899.67	J/mol×K	923.67	Joback Calculated Property
Cp,gas	911.56	J/mol×K	961.17	Joback Calculated Property
Cp,gas	921.52	J/mol×K	998.68	Joback Calculated Property
Cp,gas	929.57	J/mol×K	1036.19	Joback Calculated Property
Cp,gas	935.70	J/mol×K	1073.70	Joback Calculated Property

Similar Compounds

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

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

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