Chemical Properties of Thiodiglycol (CAS 111-48-8)

InChI

InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChI Key

YODZTKMDCQEPHD-UHFFFAOYSA-N

Formula

C4H10O2S

SMILES

OCCSCCO

Molecular Weight¹

122.19

CAS

111-48-8

Other Names

• .beta.,.beta.'-dihydroxydiethyl sulfide
• .beta.-thiodiglycol
• 2,2'-Thiobis[ethanol]
• 2,2'-Thiodiglycol
• 2,2'-thiodiethanol
• 2,2-Thiodiethanol
• 3-Thiapentane-1,5-diol
• Bis(2-hydroxyethyl) sulphide
• Bis(2-hydroxyethyl) thioether
• Bis(2-hydroxyethyl)sulfide
• Bis(b-hydroxyethyl) sulfide
• Bis(«beta»-hydroxyethyl) sulfide
• Di(2-hydroxyethyl) sulfide
• Diethanol sulfide
• Dihydroxyethyl sulfide
• Ethanol, 2,2'-thiodi-
• Glyecine A
• Kromfax solvent
• NSC 6289
• Sulfide, bis(2-hydroxyethyl)
• Tedegyl
• Thiodiethanol
• bis(2-hydroxyethyl) sulfide
• ethanol, 2,2'-thiobis-
• thiodiethylene glycol
• «beta»,«beta»'-Dihydroxydiethyl sulfide
• «beta»,«beta»'-Dihydroxyethyl sulfide
• «beta»-Bis(hydroxyethyl) sulfide
• «beta»-Hydroxyethyl sulfide
• «beta»-Thiodiglycol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7162		Relay (1.0) Calculated Property
ΔfG°	-257.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.42	kJ/mol	Joback Calculated Property
ΔvapH°	87.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	0.39		Relay (1.0) Calculated Property
logPoct/wat	-0.296		Crippen Calculated Property
McVol	95.310	ml/mol	McGowan Calculated Property
Pc	5094.76	kPa	Joback Calculated Property
Inp	[1130.90; 1184.00]
Inp	1133.00		NIST
Inp	1140.00		NIST
Inp	1131.00		NIST
Inp	1184.00		NIST
Inp	1131.00		NIST
Inp	1181.50		NIST
Inp	1130.90		NIST
Inp	1181.50		NIST
Inp	1184.00		NIST
Inp	1131.00		NIST
Inp	1133.00		NIST
I	[2351.90; 2423.00]
I	2382.00		NIST
I	2393.00		NIST
I	2351.90		NIST
I	2422.60		NIST
I	2423.00		NIST
I	2382.00		NIST
I	2422.60		NIST
I	2423.00		NIST
Tboil	556.15	K	NIST
Tc	803.33	K	Relay (1.0) Calculated Property
Tfus	263.15	K	NIST
Vc	0.323	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.30; 250.10]	J/mol×K	[544.06; 719.76]
Cp,gas	213.30	J/mol×K	544.06	Joback Calculated Property
Cp,gas	220.13	J/mol×K	573.34	Joback Calculated Property
Cp,gas	226.67	J/mol×K	602.63	Joback Calculated Property
Cp,gas	232.94	J/mol×K	631.91	Joback Calculated Property
Cp,gas	238.93	J/mol×K	661.19	Joback Calculated Property
Cp,gas	244.65	J/mol×K	690.47	Joback Calculated Property
Cp,gas	250.10	J/mol×K	719.76	Joback Calculated Property
ΔvapH	[27.10; 28.30]	kJ/mol	[425.50; 436.50]
ΔvapH	27.10	kJ/mol	425.50	NIST
ΔvapH	28.30	kJ/mol	436.50	NIST
Pvap	[6.53e-05; 3.67e-04]	kPa	[298.15; 313.15]
Pvap	6.53e-05	kPa	298.15	Vapor Pressure of Thiodiglycol
Pvap	1.28e-04	kPa	303.15	Vapor Pressure of Thiodiglycol
Pvap	2.00e-04	kPa	308.15	Vapor Pressure of Thiodiglycol
Pvap	3.67e-04	kPa	313.15	Vapor Pressure of Thiodiglycol
ρl	[1138.00; 1182.40]	kg/m3	[293.15; 353.15]
ρl	1182.40	kg/m3	293.15	Experimental solubility of carbon dioxide and hydrogen sulfide in 2,2'-thiodiglycol
ρl	1174.00	kg/m3	303.15	Experimental solubility of carbon dioxide and hydrogen sulfide in 2,2'-thiodiglycol
ρl	1167.00	kg/m3	313.15	Experimental solubility of carbon dioxide and hydrogen sulfide in 2,2'-thiodiglycol
ρl	1160.00	kg/m3	323.15	Experimental solubility of carbon dioxide and hydrogen sulfide in 2,2'-thiodiglycol
ρl	1152.00	kg/m3	333.15	Experimental solubility of carbon dioxide and hydrogen sulfide in 2,2'-thiodiglycol
ρl	1145.00	kg/m3	343.15	Experimental solubility of carbon dioxide and hydrogen sulfide in 2,2'-thiodiglycol
ρl	1138.00	kg/m3	353.15	Experimental solubility of carbon dioxide and hydrogen sulfide in 2,2'-thiodiglycol

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Thiodiglycol.

Mixtures

• Carbon dioxide + Thiodiglycol
• Thiodiglycol + Hydrogen sulfide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental solubility of carbon dioxide and hydrogen sulfide in 2,2'-thiodiglycol
• Vapor Pressure of Thiodiglycol
• Joback Method
• McGowan Method
• NIST Webbook

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