Chemical Properties of Thiirane, ethenyl- (CAS 5954-75-6)

InChI

InChI=1S/C4H6S/c1-2-4-3-5-4/h2,4H,1,3H2

InChI Key

JNUIIZUUNVYHCS-UHFFFAOYSA-N

Formula

C4H6S

SMILES

C=CC1CS1

Molecular Weight¹

86.16

CAS

5954-75-6

Other Names

• 1-Butene, 3,4-epithio-
• 3,4-Epithio-1-butene
• Vinylthiiran
• Vinylthiirane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[81.63; 203.25]	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			-3.21600e+01
Coefficient B			5.29110e-01
Coefficient C			-4.55600e-04
Coefficient D			1.61900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	81.63	J/mol×K	273.00	Calculated Property
Cp,gas	105.17	J/mol×K	353.78	Calculated Property
Cp,gas	125.02	J/mol×K	434.56	Calculated Property
Cp,gas	141.67	J/mol×K	515.33	Calculated Property
Cp,gas	155.65	J/mol×K	596.11	Calculated Property
Cp,gas	167.45	J/mol×K	676.89	Calculated Property
Cp,gas	177.61	J/mol×K	757.67	Calculated Property
Cp,gas	186.61	J/mol×K	838.44	Calculated Property
Cp,gas	194.99	J/mol×K	919.22	Calculated Property
Cp,gas	203.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thiirane, ethenyl-.

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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