Chemical Properties of 2,2'-THIOBIS(4-CHLOROPHENOL)

InChI

InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H

InChI Key

ANUSOIHIIPAHJV-UHFFFAOYSA-N

Formula

C12H8Cl2O2S

SMILES

Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O

Molecular Weight¹

287.17

Other Names

• 2,2'-Dihydroxy-5,5'-dichlorodiphenyl sulfide
• 2,2'-Dihydroxy-5,5'-dichlorophenyl sulfide
• 5,5'-Dichloro-2,2'-dihydroxydiphenyl sulfide
• Bis(2-hydroxy-5-chlorophenyl) sulfide
• CR 305
• D 25
• D 25-Antimykotikum
• Fentichlor
• HL 1050
• Meflorin
• NSC 55636
• NSC-4112
• Novex
• Oksid
• Ovitrol
• Ph 549
• Phenol, 2,2'-thiobis[4-chloro-
• Phenol], 2,2'-thiobis[4-chloro-
• S 7
• S 7 (antimycotic)

• 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_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, 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	[231.72; 483.26]	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			-1.96900e+01
Coefficient B			1.18419e+00
Coefficient C			-1.07064e-03
Coefficient D			3.89400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.72	J/mol×K	273.00	Calculated Property
Cp,gas	282.49	J/mol×K	353.78	Calculated Property
Cp,gas	324.68	J/mol×K	434.56	Calculated Property
Cp,gas	359.53	J/mol×K	515.33	Calculated Property
Cp,gas	388.25	J/mol×K	596.11	Calculated Property
Cp,gas	412.10	J/mol×K	676.89	Calculated Property
Cp,gas	432.29	J/mol×K	757.67	Calculated Property
Cp,gas	450.06	J/mol×K	838.44	Calculated Property
Cp,gas	466.64	J/mol×K	919.22	Calculated Property
Cp,gas	483.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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.
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