Chemical Properties of Pentachlorothioanisole (CAS 1825-19-0)

InChI

InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

InChI Key

LGZZJTIUEJNNKV-UHFFFAOYSA-N

Formula

C7H3Cl5S

SMILES

CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

296.43

CAS

1825-19-0

Other Names

• Benzene, pentachloro(methylthio)-
• Methyl pentachlorophenyl sulfide
• Methylthiopentachlorobenzene
• Pentachloro(methylthio)benzene
• Pentachlorophenyl methyl sulfide
• Sulfide, methyl pentachlorophenyl
• Pctas
• 1,2,3,4,5-Pentachloro-6-(methylsulfanyl)benzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[278.30; 309.80]	J/mol×K	[667.27; 932.52]
Cp,gas	278.30	J/mol×K	667.27	Joback Calculated Property
Cp,gas	284.89	J/mol×K	711.48	Joback Calculated Property
Cp,gas	290.94	J/mol×K	755.69	Joback Calculated Property
Cp,gas	296.47	J/mol×K	799.90	Joback Calculated Property
Cp,gas	301.46	J/mol×K	844.10	Joback Calculated Property
Cp,gas	305.90	J/mol×K	888.31	Joback Calculated Property
Cp,gas	309.80	J/mol×K	932.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentachlorothioanisole.

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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