Chemical Properties of 1,2-OXATHIOLANE, 2,2-DIOXIDE

InChI

InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2

InChI Key

FSSPGSAQUIYDCN-UHFFFAOYSA-N

Formula

C3H6O3S

SMILES

O=S1(=O)CCCO1

Molecular Weight¹

122.14

Other Names

• «gamma»-Propane sultone
• Propane sultone
• 1-Propanesulfonic acid, 3-hydroxy-, «gamma»-sultone
• 1,3-Propane sultone
• 3-Hydroxy-1-propanesulfonic acid, sultone
• 3-Hydroxy-1-propanesulfonic acid «gamma»-sultone
• 3-Hydroxy-1-propanesulphonic acid sultone
• Rcra waste number U193
• NSC 42386

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[123.62; 173.60]	J/mol×K	[341.77; 528.32]
Cp,gas	123.62	J/mol×K	341.77	Joback Calculated Property
Cp,gas	133.07	J/mol×K	372.86	Joback Calculated Property
Cp,gas	142.05	J/mol×K	403.95	Joback Calculated Property
Cp,gas	150.59	J/mol×K	435.05	Joback Calculated Property
Cp,gas	158.68	J/mol×K	466.14	Joback Calculated Property
Cp,gas	166.35	J/mol×K	497.23	Joback Calculated Property
Cp,gas	173.60	J/mol×K	528.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-OXATHIOLANE, 2,2-DIOXIDE.

Sources

• 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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