Chemical Properties of 3-Ethyl-1,2-dithi-4-ene

InChI

InChI=1S/C6H10S2/c1-2-6-4-3-5-7-8-6/h3-4,6H,2,5H2,1H3

InChI Key

QRXGPSRNGFYLIU-UHFFFAOYSA-N

Formula

C6H10S2

SMILES

CCC1C=CCSS1

Molecular Weight¹

146.27

• 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).
• I_np : Non-polar retention indices.
• 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, 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	[137.25; 335.31]	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			-1.67490e+01
Coefficient B			6.68740e-01
Coefficient C			-4.08280e-04
Coefficient D			9.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.25	J/mol×K	273.00	Calculated Property
Cp,gas	172.79	J/mol×K	353.78	Calculated Property
Cp,gas	204.27	J/mol×K	434.56	Calculated Property
Cp,gas	231.98	J/mol×K	515.33	Calculated Property
Cp,gas	256.22	J/mol×K	596.11	Calculated Property
Cp,gas	277.26	J/mol×K	676.89	Calculated Property
Cp,gas	295.40	J/mol×K	757.67	Calculated Property
Cp,gas	310.93	J/mol×K	838.44	Calculated Property
Cp,gas	324.13	J/mol×K	919.22	Calculated Property
Cp,gas	335.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethyl-1,2-dithi-4-ene.

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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