Chemical Properties of 4-Chloro-meta-benzenedithiol (CAS 58593-78-5)

InChI

InChI=1S/C6H5ClS2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

InChI Key

HCDLDZCJYMCKQH-UHFFFAOYSA-N

Formula

C6H5ClS2

SMILES

Sc1ccc(Cl)c(S)c1

Molecular Weight¹

176.69

CAS

58593-78-5

Other Names

• 1,3-Benzenedithiol, 4-chloro-
• 4-chlorobenzene-1,3-dithiol

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.58; 263.28]	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			3.48000e+01
Coefficient B			4.37300e-01
Coefficient C			-2.64920e-04
Coefficient D			5.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.58	J/mol×K	273.00	Calculated Property
Cp,gas	158.83	J/mol×K	353.78	Calculated Property
Cp,gas	179.41	J/mol×K	434.56	Calculated Property
Cp,gas	197.48	J/mol×K	515.33	Calculated Property
Cp,gas	213.22	J/mol×K	596.11	Calculated Property
Cp,gas	226.82	J/mol×K	676.89	Calculated Property
Cp,gas	238.45	J/mol×K	757.67	Calculated Property
Cp,gas	248.28	J/mol×K	838.44	Calculated Property
Cp,gas	256.50	J/mol×K	919.22	Calculated Property
Cp,gas	263.28	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloro-meta-benzenedithiol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.