Chemical Properties of 1,2,3,5,7-Pentathiocane

InChI

InChI=1S/C3H6S5/c1-4-2-6-8-7-3-5-1/h1-3H2

InChI Key

HBNGYETUEDVGMZ-UHFFFAOYSA-N

Formula

C3H6S5

SMILES

C1SCSSSCS1

Molecular Weight¹

202.42

• 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	[141.66; 287.73]	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			2.74800e+01
Coefficient B			4.90250e-01
Coefficient C			-2.76500e-04
Coefficient D			4.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.66	J/mol×K	273.00	Calculated Property
Cp,gas	168.37	J/mol×K	353.78	Calculated Property
Cp,gas	192.12	J/mol×K	434.56	Calculated Property
Cp,gas	213.06	J/mol×K	515.33	Calculated Property
Cp,gas	231.32	J/mol×K	596.11	Calculated Property
Cp,gas	247.06	J/mol×K	676.89	Calculated Property
Cp,gas	260.42	J/mol×K	757.67	Calculated Property
Cp,gas	271.56	J/mol×K	838.44	Calculated Property
Cp,gas	280.61	J/mol×K	919.22	Calculated Property
Cp,gas	287.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,5,7-Pentathiocane.

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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