Chemical Properties of Ethanol, 2,2'-[1,2-ethanediylbis(thio)]bis- (CAS 5244-34-8)

InChI

InChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

InChI Key

PDHFSBXFZGYBIP-UHFFFAOYSA-N

Formula

C6H14O2S2

SMILES

OCCSCCSCCO

Molecular Weight¹

182.30

CAS

5244-34-8

Other Names

• Ethanol, 2,2'-(ethylenedithio)di-
• Di(«beta»-Hydroxyethyl) ethylene disulfide
• Ethylenedithioethanol
• 1,10-Dioxa-4,7-dithiadecane
• 1,2-Bis(«beta»-hydroxyethylthio)ethane
• 1,2-Bis(2-hydroxyethylthio)ethane
• 1,8-Dihydroxy-3,6-dithiaoctane
• 2,2'-[1,2-Ethanediylbis(thio)]bisethanol
• 3,6-Dithia-1,8-octanediol
• 1,2-Bis(beta-hydroxyethylthio)ethane
• 1,8-Dihydroxy-3,6-dithiooctane
• 1,8-Dihydroxy-3,6-octanedithione
• 2,2'-(Ethylenedithio)diethanol
• 3,6-Dithiaoctan-1,8-diol

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.73	kJ/mol	Joback Calculated Property
logPoct/wat	0.437		Crippen Calculated Property
McVol	139.840	ml/mol	McGowan Calculated Property
Inp	[1703.00; 1703.00]
Inp	1703.00		NIST
Inp	1703.00		NIST
Tboil	614.56	K	Relay (1.0) Calculated Property
Tfus	285.22	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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.77; 419.40]	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			4.72160e+01
Coefficient B			6.30580e-01
Coefficient C			-2.83000e-04
Coefficient D			2.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.77	J/mol×K	273.00	Calculated Property
Cp,gas	235.97	J/mol×K	353.78	Calculated Property
Cp,gas	269.82	J/mol×K	434.56	Calculated Property
Cp,gas	300.39	J/mol×K	515.33	Calculated Property
Cp,gas	327.76	J/mol×K	596.11	Calculated Property
Cp,gas	352.01	J/mol×K	676.89	Calculated Property
Cp,gas	373.23	J/mol×K	757.67	Calculated Property
Cp,gas	391.48	J/mol×K	838.44	Calculated Property
Cp,gas	406.84	J/mol×K	919.22	Calculated Property
Cp,gas	419.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2,2'-[1,2-ethanediylbis(thio)]bis-.

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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