Chemical Properties of Phenol, 4,4'-thiobis- (CAS 2664-63-3)

InChI

InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChI Key

VWGKEVWFBOUAND-UHFFFAOYSA-N

Formula

C12H10O2S

SMILES

Oc1ccc(Sc2ccc(O)cc2)cc1

Molecular Weight¹

218.27

CAS

2664-63-3

Other Names

• 4,4'-Dihydroxydiphenyl sulfide
• 4,4'-Dioxydiphenyl sulfide
• 4,4'-Thiobis[phenol]
• 4,4'-Thiodiphenol
• 4,4-Dihydroxydiphenyl sulfide
• 4,4-Thiodiphenol
• 4-(4-Hydroxyphenylthio)phenol
• Bis(4-hydroxyphenyl) sulfide
• Bis(p-hydroxhphenyl) sulfide
• DFS
• NSC 203030
• Phenol, 4,4'-thiodi-
• Sulfide, bis(4-hydroxyphenyl)
• Thiobisphenol
• p,p'-Dihydroxydiphenyl sulfide

• 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Critical Volume, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.81; 472.80]	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			-7.40700e+01
Coefficient B			1.28959e+00
Coefficient C			-1.16392e-03
Coefficient D			4.21200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.81	J/mol×K	273.00	Calculated Property
Cp,gas	255.13	J/mol×K	353.78	Calculated Property
Cp,gas	301.10	J/mol×K	434.56	Calculated Property
Cp,gas	339.04	J/mol×K	515.33	Calculated Property
Cp,gas	370.29	J/mol×K	596.11	Calculated Property
Cp,gas	396.19	J/mol×K	676.89	Calculated Property
Cp,gas	418.05	J/mol×K	757.67	Calculated Property
Cp,gas	437.22	J/mol×K	838.44	Calculated Property
Cp,gas	455.03	J/mol×K	919.22	Calculated Property
Cp,gas	472.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4,4'-thiobis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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