Chemical Properties of 3-Thia-1-pentanethiol

InChI

InChI=1S/C4H10S2/c1-2-6-4-3-5/h5H,2-4H2,1H3

InChI Key

IYQVQZXLTJHEKZ-UHFFFAOYSA-N

Formula

C4H10S2

SMILES

CCSCCS

Molecular Weight¹

122.25

• 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

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	[131.62; 277.65]	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			3.37430e+01
Coefficient B			4.05510e-01
Coefficient C			-1.76000e-04
Coefficient D			1.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.62	J/mol×K	273.00	Calculated Property
Cp,gas	155.81	J/mol×K	353.78	Calculated Property
Cp,gas	177.91	J/mol×K	434.56	Calculated Property
Cp,gas	197.95	J/mol×K	515.33	Calculated Property
Cp,gas	215.98	J/mol×K	596.11	Calculated Property
Cp,gas	232.05	J/mol×K	676.89	Calculated Property
Cp,gas	246.21	J/mol×K	757.67	Calculated Property
Cp,gas	258.50	J/mol×K	838.44	Calculated Property
Cp,gas	268.97	J/mol×K	919.22	Calculated Property
Cp,gas	277.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Thia-1-pentanethiol.

Sources

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

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