Chemical Properties of Acetic acid, sulfonyldi- (CAS 123-45-5)

InChI

InChI=1S/C4H6O6S/c5-3(6)1-11(9,10)2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

InChI Key

WDYRPTWUNMHTJL-UHFFFAOYSA-N

Formula

C4H6O6S

SMILES

O=C(O)CS(=O)(=O)CC(=O)O

Molecular Weight¹

182.15

CAS

123-45-5

• 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	[267.43; 301.17]	J/mol×K	[629.92; 832.91]
Cp,gas	267.43	J/mol×K	629.92	Joback Calculated Property
Cp,gas	274.26	J/mol×K	663.75	Joback Calculated Property
Cp,gas	280.60	J/mol×K	697.58	Joback Calculated Property
Cp,gas	286.45	J/mol×K	731.41	Joback Calculated Property
Cp,gas	291.83	J/mol×K	765.25	Joback Calculated Property
Cp,gas	296.73	J/mol×K	799.08	Joback Calculated Property
Cp,gas	301.17	J/mol×K	832.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, sulfonyldi-.

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.
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