Chemical Properties of 1,4-Dithiane-1-oxide (CAS 19087-70-8)

InChI

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

InChI Key

VBDLSQFQIUGPSA-UHFFFAOYSA-N

Formula

C4H8OS2

SMILES

O=S1CCSCC1

Molecular Weight¹

136.24

CAS

19087-70-8

Other Names

• p-Dithiane, 1-oxide
• 1,4-Dithiacyclohexane 1-oxide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.79; 278.09]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.18300e+01
Coefficient B			5.80820e-01
Coefficient C			-3.54900e-04
Coefficient D			7.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	111.79	J/mol×K	273.00	Calculated Property
Cp,gas	142.51	J/mol×K	353.78	Calculated Property
Cp,gas	169.62	J/mol×K	434.56	Calculated Property
Cp,gas	193.36	J/mol×K	515.33	Calculated Property
Cp,gas	213.97	J/mol×K	596.11	Calculated Property
Cp,gas	231.66	J/mol×K	676.89	Calculated Property
Cp,gas	246.69	J/mol×K	757.67	Calculated Property
Cp,gas	259.28	J/mol×K	838.44	Calculated Property
Cp,gas	269.67	J/mol×K	919.22	Calculated Property
Cp,gas	278.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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