Chemical Properties of 3-Chloro-4-fluorothiobenzamide (CAS 130560-97-3)

InChI

InChI=1S/C7H5ClFNS/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)

InChI Key

RSGPCKCTKDCMRR-UHFFFAOYSA-N

Formula

C7H5ClFNS

SMILES

NC(=S)c1ccc(F)c(Cl)c1

Molecular Weight¹

189.64

CAS

130560-97-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.94; 302.07]	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			9.10000e+00
Coefficient B			6.58790e-01
Coefficient C			-5.45720e-04
Coefficient D			1.79900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.94	J/mol×K	273.00	Calculated Property
Cp,gas	181.83	J/mol×K	353.78	Calculated Property
Cp,gas	207.09	J/mol×K	434.56	Calculated Property
Cp,gas	228.29	J/mol×K	515.33	Calculated Property
Cp,gas	246.00	J/mol×K	596.11	Calculated Property
Cp,gas	260.78	J/mol×K	676.89	Calculated Property
Cp,gas	273.21	J/mol×K	757.67	Calculated Property
Cp,gas	283.86	J/mol×K	838.44	Calculated Property
Cp,gas	293.29	J/mol×K	919.22	Calculated Property
Cp,gas	302.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-4-fluorothiobenzamide.

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

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