Chemical Properties of Thiirane,cis-2,3-diethynyl-

InChI

InChI=1S/C6H4S/c1-3-5-6(4-2)7-5/h1-2,5-6H/t5-,6+

InChI Key

ZEODDVBXGCQFTC-OLQVQODUSA-N

Formula

C6H4S

SMILES

C#C[C@@H]1S[C@@H]1C#C

Molecular Weight¹

108.16

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[113.76; 226.24]	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			2.51000e+00
Coefficient B			5.24810e-01
Coefficient C			-4.77960e-04
Coefficient D			1.76880e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.76	J/mol×K	273.00	Calculated Property
Cp,gas	136.19	J/mol×K	353.78	Calculated Property
Cp,gas	154.83	J/mol×K	434.56	Calculated Property
Cp,gas	170.24	J/mol×K	515.33	Calculated Property
Cp,gas	182.98	J/mol×K	596.11	Calculated Property
Cp,gas	193.61	J/mol×K	676.89	Calculated Property
Cp,gas	202.70	J/mol×K	757.67	Calculated Property
Cp,gas	210.79	J/mol×K	838.44	Calculated Property
Cp,gas	218.45	J/mol×K	919.22	Calculated Property
Cp,gas	226.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thiirane,cis-2,3-diethynyl-.

Sources

• 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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