Chemical Properties of Benzenethiol, 2,5-dichloro- (CAS 5858-18-4)

InChI

InChI=1S/C6H4Cl2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChI Key

QIULLHZMZMGGFH-UHFFFAOYSA-N

Formula

C6H4Cl2S

SMILES

Sc1cc(Cl)ccc1Cl

Molecular Weight¹

179.07

CAS

5858-18-4

Other Names

• Thiophenol, 2,5-dichloro-
• 2,5-Dichlorobenzenethiol
• 2,5-Dichlorothiophenol

• 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).
• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.12; 225.01]	J/mol×K	[511.24; 769.94]
Cp,gas	185.12	J/mol×K	511.24	Joback Calculated Property
Cp,gas	193.19	J/mol×K	554.36	Joback Calculated Property
Cp,gas	200.66	J/mol×K	597.47	Joback Calculated Property
Cp,gas	207.55	J/mol×K	640.59	Joback Calculated Property
Cp,gas	213.88	J/mol×K	683.70	Joback Calculated Property
Cp,gas	219.69	J/mol×K	726.82	Joback Calculated Property
Cp,gas	225.01	J/mol×K	769.94	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzenethiol, 2,5-dichloro-.

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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