Chemical Properties of 3-Thia-5-hexene-1-thiol

InChI

InChI=1S/C5H10S2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2

InChI Key

IIUMUJLWECLSGI-UHFFFAOYSA-N

Formula

C5H10S2

SMILES

C=CCSCCS

Molecular Weight¹

134.27

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	24.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.60	kJ/mol	Joback Calculated Property
ΔvapH°	54.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
logPoct/wat	1.835		Crippen Calculated Property
McVol	109.710	ml/mol	McGowan Calculated Property
Inp	[1090.00; 1090.00]
Inp	1090.00		NIST
Inp	1090.00		NIST
Tboil	456.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[143.03; 300.73]	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			2.98430e+01
Coefficient B			4.80490e-01
Coefficient C			-2.53300e-04
Coefficient D			4.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.03	J/mol×K	273.00	Calculated Property
Cp,gas	170.06	J/mol×K	353.78	Calculated Property
Cp,gas	194.40	J/mol×K	434.56	Calculated Property
Cp,gas	216.17	J/mol×K	515.33	Calculated Property
Cp,gas	235.52	J/mol×K	596.11	Calculated Property
Cp,gas	252.58	J/mol×K	676.89	Calculated Property
Cp,gas	267.49	J/mol×K	757.67	Calculated Property
Cp,gas	280.40	J/mol×K	838.44	Calculated Property
Cp,gas	291.43	J/mol×K	919.22	Calculated Property
Cp,gas	300.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Thia-5-hexene-1-thiol.

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

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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