Chemical Properties of 4-Ethylthio-3-buten-1-yne

InChI

InChI=1S/C6H8S/c1-3-5-6-7-4-2/h1,5-6H,4H2,2H3

InChI Key

JQPJGIDORMRFQK-UHFFFAOYSA-N

Formula

C6H8S

SMILES

C#CC=CSCC

Molecular Weight¹

112.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Ionization energy, 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	[128.08; 267.20]	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			1.66310e+01
Coefficient B			4.94310e-01
Coefficient C			-3.42130e-04
Coefficient D			9.83900e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.08	J/mol×K	273.00	Calculated Property
Cp,gas	153.04	J/mol×K	353.78	Calculated Property
Cp,gas	174.90	J/mol×K	434.56	Calculated Property
Cp,gas	193.97	J/mol×K	515.33	Calculated Property
Cp,gas	210.56	J/mol×K	596.11	Calculated Property
Cp,gas	224.98	J/mol×K	676.89	Calculated Property
Cp,gas	237.54	J/mol×K	757.67	Calculated Property
Cp,gas	248.56	J/mol×K	838.44	Calculated Property
Cp,gas	258.34	J/mol×K	919.22	Calculated Property
Cp,gas	267.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Ethylthio-3-buten-1-yne.

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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