Chemical Properties of Ethanol, 2-(methylthio)methylthio

InChI

InChI=1S/C4H10OS2/c1-6-4-7-3-2-5/h5H,2-4H2,1H3

InChI Key

LEILLEQUGZHUJV-UHFFFAOYSA-N

Formula

C4H10OS2

SMILES

CSCSCCO

Molecular Weight¹

138.26

• 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).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.46	kJ/mol	Joback Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
logPoct/wat	1.032		Crippen Calculated Property
McVol	105.790	ml/mol	McGowan Calculated Property
I	[2090.00; 2090.00]
I	2090.00		NIST
I	2090.00		NIST
Tboil	530.39	K	Relay (1.0) Calculated Property
Tfus	254.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[143.84; 297.54]	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			4.37430e+01
Coefficient B			4.06600e-01
Coefficient C			-1.43800e-04
Coefficient D			-9.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.84	J/mol×K	273.00	Calculated Property
Cp,gas	169.19	J/mol×K	353.78	Calculated Property
Cp,gas	192.54	J/mol×K	434.56	Calculated Property
Cp,gas	213.86	J/mol×K	515.33	Calculated Property
Cp,gas	233.12	J/mol×K	596.11	Calculated Property
Cp,gas	250.29	J/mol×K	676.89	Calculated Property
Cp,gas	265.35	J/mol×K	757.67	Calculated Property
Cp,gas	278.26	J/mol×K	838.44	Calculated Property
Cp,gas	289.00	J/mol×K	919.22	Calculated Property
Cp,gas	297.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-(methylthio)methylthio.

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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