Chemical Properties of 1,2,3,4,6,7-Hexathiocane

InChI

InChI=1S/C2H4S6/c1-3-4-2-6-8-7-5-1/h1-2H2

InChI Key

YGKDVYXUYSWNGO-UHFFFAOYSA-N

Formula

C2H4S6

SMILES

C1SSCSSSS1

Molecular Weight¹

220.44

• 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).
• I_np : Non-polar retention indices.
• 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	[144.98; 262.47]	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			5.02100e+01
Coefficient B			4.09660e-01
Coefficient C			-2.40800e-04
Coefficient D			4.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.98	J/mol×K	273.00	Calculated Property
Cp,gas	166.92	J/mol×K	353.78	Calculated Property
Cp,gas	186.32	J/mol×K	434.56	Calculated Property
Cp,gas	203.31	J/mol×K	515.33	Calculated Property
Cp,gas	218.04	J/mol×K	596.11	Calculated Property
Cp,gas	230.63	J/mol×K	676.89	Calculated Property
Cp,gas	241.24	J/mol×K	757.67	Calculated Property
Cp,gas	249.99	J/mol×K	838.44	Calculated Property
Cp,gas	257.02	J/mol×K	919.22	Calculated Property
Cp,gas	262.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,4,6,7-Hexathiocane.

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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