Chemical Properties of 1,3-DITHIANE, 1-OXIDE

InChI

InChI=1S/C4H8OS2/c5-7-3-1-2-6-4-7/h1-4H2

InChI Key

ONTCBWKSXDATLL-UHFFFAOYSA-N

Formula

C4H8OS2

SMILES

O=S1CCCSC1

Molecular Weight¹

136.24

Other Names

• 1,3-Dithiane, 1-oxide
• 1,3-Dithiane sulfoxide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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	[158.55; 221.45]	J/mol×K	[400.30; 628.72]
Cp,gas	158.55	J/mol×K	400.30	Joback Calculated Property
Cp,gas	170.82	J/mol×K	438.37	Joback Calculated Property
Cp,gas	182.34	J/mol×K	476.44	Joback Calculated Property
Cp,gas	193.14	J/mol×K	514.51	Joback Calculated Property
Cp,gas	203.24	J/mol×K	552.58	Joback Calculated Property
Cp,gas	212.67	J/mol×K	590.65	Joback Calculated Property
Cp,gas	221.45	J/mol×K	628.72	Joback Calculated Property
ΔfusH	22.60	kJ/mol	361.90	NIST

Similar Compounds

Find more compounds similar to 1,3-DITHIANE, 1-OXIDE.

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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