Chemical Properties of P-toluenesulfonamide, n,n'-(1,4-cyclohexylene)bis[n-(2-hydroxyethyl)-, diacetate

InChI

InChI=1S/C28H38N2O8S2/c1-21-5-13-27(14-6-21)39(33,34)29(17-19-37-23(3)31)25-9-11-26(12-10-25)30(18-20-38-24(4)32)40(35,36)28-15-7-22(2)8-16-28/h5-8,13-16,25-26H,9-12,17-20H2,1-4H3

InChI Key

VENNTHBQQAJMQS-UHFFFAOYSA-N

Formula

C28H38N2O8S2

SMILES

CC(=O)OCCN(C1CCC(N(CCOC(C)=O)S(=O)(=O)c2ccc(C)cc2)CC1)S(=O)(=O)c1ccc(C)cc1

Molecular Weight¹

594.74

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[1450.55; 1490.92]	J/mol×K	[1191.26; 1465.13]
Cp,gas	1489.00	J/mol×K	1191.26	Joback Calculated Property
Cp,gas	1490.92	J/mol×K	1236.91	Joback Calculated Property
Cp,gas	1489.42	J/mol×K	1282.55	Joback Calculated Property
Cp,gas	1484.56	J/mol×K	1328.20	Joback Calculated Property
Cp,gas	1476.41	J/mol×K	1373.84	Joback Calculated Property
Cp,gas	1465.05	J/mol×K	1419.49	Joback Calculated Property
Cp,gas	1450.55	J/mol×K	1465.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to P-toluenesulfonamide, n,n'-(1,4-cyclohexylene)bis[n-(2-hydroxyethyl)-, diacetate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.