Chemical Properties of 2,2'-THIOBIS(4,6-DICHLOROPHENOL)

InChI

InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H

InChI Key

JFIOVJDNOJYLKP-UHFFFAOYSA-N

Formula

C12H6Cl4O2S

SMILES

Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O

Molecular Weight¹

356.06

Other Names

• 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide
• 2-Hydroxy-3,5-dichlorophenyl sulfide
• 2-Hydroxy-3,5-dichlorophenyl sulphide
• Actamer
• Bidiphen
• Bis(2-hydroxy-3,5-dichlorophenyl) sulfide
• Bis(3,5-dichloro-2-hydroxyphenyl) sulfide
• Bisoxyphen
• Bithin
• Bithional
• Bithionol
• Bithionol sulfide
• Bithionolate
• Bitin
• Bitionol
• CP 3438
• D 26
• Lorothidol
• Lorothiodol
• NCI-C60628
• NSC 47129
• Neopellis
• Nobacter
• Phenol, 2,2'-thiobis[4,6-dichloro-
• TBP
• TKhSD
• USAF B-22
• Vancide BL
• XL 7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[263.63; 493.72]	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			3.46900e+01
Coefficient B			1.07879e+00
Coefficient C			-9.77360e-04
Coefficient D			3.57600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.63	J/mol×K	273.00	Calculated Property
Cp,gas	309.85	J/mol×K	353.78	Calculated Property
Cp,gas	348.27	J/mol×K	434.56	Calculated Property
Cp,gas	380.01	J/mol×K	515.33	Calculated Property
Cp,gas	406.21	J/mol×K	596.11	Calculated Property
Cp,gas	428.01	J/mol×K	676.89	Calculated Property
Cp,gas	446.53	J/mol×K	757.67	Calculated Property
Cp,gas	462.90	J/mol×K	838.44	Calculated Property
Cp,gas	478.25	J/mol×K	919.22	Calculated Property
Cp,gas	493.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,2'-THIOBIS(4,6-DICHLOROPHENOL).

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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