Chemical Properties of 1-Ethylthio-3-buten-1-yne (CAS 14272-36-7)

InChI

InChI=1S/C6H8S/c1-3-5-6-7-4-2/h3H,1,4H2,2H3

InChI Key

SICACCNECSLXMB-UHFFFAOYSA-N

Formula

C6H8S

SMILES

C=CC#CSCC

Molecular Weight¹

112.19

CAS

14272-36-7

• 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).
• 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, 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	[126.56; 265.83]	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			3.16010e+01
Coefficient B			3.98410e-01
Coefficient C			-1.93160e-04
Coefficient D			2.89800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.56	J/mol×K	273.00	Calculated Property
Cp,gas	149.66	J/mol×K	353.78	Calculated Property
Cp,gas	170.63	J/mol×K	434.56	Calculated Property
Cp,gas	189.58	J/mol×K	515.33	Calculated Property
Cp,gas	206.60	J/mol×K	596.11	Calculated Property
Cp,gas	221.77	J/mol×K	676.89	Calculated Property
Cp,gas	235.18	J/mol×K	757.67	Calculated Property
Cp,gas	246.94	J/mol×K	838.44	Calculated Property
Cp,gas	257.12	J/mol×K	919.22	Calculated Property
Cp,gas	265.83	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-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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