Chemical Properties of 2-Chloro-5-iodobenzoic acid (CAS 19094-56-5)

InChI

InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)

InChI Key

GEBYSTBEDVQOTK-UHFFFAOYSA-N

Formula

C7H4ClIO2

SMILES

O=C(O)c1cc(I)ccc1Cl

Molecular Weight¹

282.46

CAS

19094-56-5

Other Names

• Benzoic acid, 2-chloro-5-iodo-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	[145.93; 284.08]	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			2.04000e+01
Coefficient B			5.67500e-01
Coefficient C			-4.28520e-04
Coefficient D			1.24700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.93	J/mol×K	273.00	Calculated Property
Cp,gas	173.06	J/mol×K	353.78	Calculated Property
Cp,gas	196.32	J/mol×K	434.56	Calculated Property
Cp,gas	216.12	J/mol×K	515.33	Calculated Property
Cp,gas	232.83	J/mol×K	596.11	Calculated Property
Cp,gas	246.87	J/mol×K	676.89	Calculated Property
Cp,gas	258.62	J/mol×K	757.67	Calculated Property
Cp,gas	268.47	J/mol×K	838.44	Calculated Property
Cp,gas	276.83	J/mol×K	919.22	Calculated Property
Cp,gas	284.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010502; 0.0002726]	Pa×s	[468.69; 658.10]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15444e+01
Coefficient B			2.19614e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			468.69
Temperature range, max.			658.10
η	0.0010502	Pa×s	468.69	Calculated Property
η	0.0008587	Pa×s	489.74	Calculated Property
η	0.0007138	Pa×s	510.78	Calculated Property
η	0.0006021	Pa×s	531.83	Calculated Property
η	0.0005146	Pa×s	552.87	Calculated Property
η	0.0004448	Pa×s	573.92	Calculated Property
η	0.0003885	Pa×s	594.96	Calculated Property
η	0.0003425	Pa×s	616.01	Calculated Property
η	0.0003044	Pa×s	637.05	Calculated Property
η	0.0002726	Pa×s	658.10	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-5-iodobenzoic acid.

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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