Chemical Properties of 1,2,5-Trithiepane

InChI

InChI=1S/C4H8S3/c1-3-6-7-4-2-5-1/h1-4H2

InChI Key

JOAOASQIWYLMQC-UHFFFAOYSA-N

Formula

C4H8S3

SMILES

C1CSSCCS1

Molecular Weight¹

152.31

Other Names

• 1,2,5-Trithiapane

• ω : Acentric Factor.
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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	[118.68; 284.88]	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			-1.19500e+01
Coefficient B			5.66030e-01
Coefficient C			-3.39900e-04
Coefficient D			7.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.68	J/mol×K	273.00	Calculated Property
Cp,gas	148.89	J/mol×K	353.78	Calculated Property
Cp,gas	175.64	J/mol×K	434.56	Calculated Property
Cp,gas	199.15	J/mol×K	515.33	Calculated Property
Cp,gas	219.66	J/mol×K	596.11	Calculated Property
Cp,gas	237.38	J/mol×K	676.89	Calculated Property
Cp,gas	252.54	J/mol×K	757.67	Calculated Property
Cp,gas	265.36	J/mol×K	838.44	Calculated Property
Cp,gas	276.07	J/mol×K	919.22	Calculated Property
Cp,gas	284.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,5-Trithiepane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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