Chemical Properties of 2,3,4,5-tetrathiaheptane

InChI

InChI=1S/C3H8S4/c1-3-5-7-6-4-2/h3H2,1-2H3

InChI Key

AEWINZMMMZGEST-UHFFFAOYSA-N

Formula

C3H8S4

SMILES

CCSSSSC

Molecular Weight¹

172.36

Other Names

• Methyl ethyl tetrasulfide

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	9.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.05	kJ/mol	Joback Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-2.69		Relay (1.0) Calculated Property
logPoct/wat	3.314		Crippen Calculated Property
McVol	118.530	ml/mol	McGowan Calculated Property
Inp	[1278.00; 1321.00]
Inp	1280.00		NIST
Inp	1321.00		NIST
Inp	1278.00		NIST
Tboil	507.83	K	Relay (1.0) Calculated Property
Tc	769.16	K	Relay (1.0) Calculated Property
Tfus	239.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[151.14; 280.46]	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			7.85610e+01
Coefficient B			2.66400e-01
Coefficient C			2.14000e-05
Coefficient D			-8.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.14	J/mol×K	273.00	Calculated Property
Cp,gas	171.68	J/mol×K	353.78	Calculated Property
Cp,gas	191.32	J/mol×K	434.56	Calculated Property
Cp,gas	209.77	J/mol×K	515.33	Calculated Property
Cp,gas	226.77	J/mol×K	596.11	Calculated Property
Cp,gas	242.05	J/mol×K	676.89	Calculated Property
Cp,gas	255.33	J/mol×K	757.67	Calculated Property
Cp,gas	266.34	J/mol×K	838.44	Calculated Property
Cp,gas	274.80	J/mol×K	919.22	Calculated Property
Cp,gas	280.46	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5-tetrathiaheptane.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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