Chemical Properties of 2-ethyl-4-methyl-1,3-dithiolane

InChI

InChI=1S/C6H12S2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3

InChI Key

PYBVIKJOGRMFFA-UHFFFAOYSA-N

Formula

C6H12S2

SMILES

CCC1SCC(C)S1

Molecular Weight¹

148.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-62.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.62	kJ/mol	Joback Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
logPoct/wat	2.591		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Inp	[1117.00; 1174.00]
Inp	1117.00		NIST
Inp	1130.00		NIST
Inp	1142.00		NIST
Inp	1156.00		NIST
Inp	1174.00		NIST
Inp	1130.00		NIST
Inp	1117.00		NIST
Inp	1153.00		NIST
Inp	1130.00		NIST
Tboil	469.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[150.88; 371.49]	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			-1.34690e+01
Coefficient B			7.07860e-01
Coefficient C			-4.12000e-04
Coefficient D			8.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.88	J/mol×K	273.00	Calculated Property
Cp,gas	189.34	J/mol×K	353.78	Calculated Property
Cp,gas	223.65	J/mol×K	434.56	Calculated Property
Cp,gas	254.09	J/mol×K	515.33	Calculated Property
Cp,gas	280.96	J/mol×K	596.11	Calculated Property
Cp,gas	304.54	J/mol×K	676.89	Calculated Property
Cp,gas	325.09	J/mol×K	757.67	Calculated Property
Cp,gas	342.92	J/mol×K	838.44	Calculated Property
Cp,gas	358.29	J/mol×K	919.22	Calculated Property
Cp,gas	371.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-ethyl-4-methyl-1,3-dithiolane.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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