Chemical Properties of 1-Oxa-4,7-dithionane

InChI

InChI=1S/C6H14OS2/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3

InChI Key

SLLASBJKZVMFNZ-UHFFFAOYSA-N

Formula

C6H14OS2

SMILES

CCSCCSCCO

Molecular Weight¹

166.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-272.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.64	kJ/mol	Joback Calculated Property
ΔvapH°	83.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-0.56		Relay (1.0) Calculated Property
logPoct/wat	1.465		Crippen Calculated Property
McVol	133.970	ml/mol	McGowan Calculated Property
Pc	3594.25	kPa	Joback Calculated Property
Inp	[1358.00; 1409.30]
Inp	1358.00		NIST
Inp	1409.30		NIST
Tboil	545.14	K	Relay (1.0) Calculated Property
Tc	780.32	K	Relay (1.0) Calculated Property
Tfus	246.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[186.27; 400.73]	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			4.19250e+01
Coefficient B			5.96600e-01
Coefficient C			-2.52600e-04
Coefficient D			1.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.27	J/mol×K	273.00	Calculated Property
Cp,gas	222.03	J/mol×K	353.78	Calculated Property
Cp,gas	254.69	J/mol×K	434.56	Calculated Property
Cp,gas	284.32	J/mol×K	515.33	Calculated Property
Cp,gas	310.94	J/mol×K	596.11	Calculated Property
Cp,gas	334.61	J/mol×K	676.89	Calculated Property
Cp,gas	355.38	J/mol×K	757.67	Calculated Property
Cp,gas	373.29	J/mol×K	838.44	Calculated Property
Cp,gas	388.39	J/mol×K	919.22	Calculated Property
Cp,gas	400.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Oxa-4,7-dithionane.

Sources

• Cheméo Relay (1.0)
• 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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