Chemical Properties of 2-Iodo-5-methylbenzoic acid

InChI

InChI=1S/C8H7IO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key

INGWGCDYAJKXKP-UHFFFAOYSA-N

Formula

C8H7IO2

SMILES

Cc1ccc(I)c(C(=O)O)c1

Molecular Weight¹

262.05

Other Names

• Benzoic acid, 2-iodo-5-methyl-

• 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).
• 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_c : Critical 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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[153.74; 327.40]	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			6.60000e+00
Coefficient B			6.55720e-01
Coefficient C			-4.62520e-04
Coefficient D			1.27600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.74	J/mol×K	273.00	Calculated Property
Cp,gas	186.34	J/mol×K	353.78	Calculated Property
Cp,gas	214.68	J/mol×K	434.56	Calculated Property
Cp,gas	239.15	J/mol×K	515.33	Calculated Property
Cp,gas	260.16	J/mol×K	596.11	Calculated Property
Cp,gas	278.11	J/mol×K	676.89	Calculated Property
Cp,gas	293.40	J/mol×K	757.67	Calculated Property
Cp,gas	306.45	J/mol×K	838.44	Calculated Property
Cp,gas	317.65	J/mol×K	919.22	Calculated Property
Cp,gas	327.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010960; 0.0002684]	Pa×s	[450.04; 641.81]	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			-1.15245e+01
Coefficient B			2.11898e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			450.04
Temperature range, max.			641.81
η	0.0010960	Pa×s	450.04	Calculated Property
η	0.0008859	Pa×s	471.35	Calculated Property
η	0.0007294	Pa×s	492.66	Calculated Property
η	0.0006102	Pa×s	513.96	Calculated Property
η	0.0005179	Pa×s	535.27	Calculated Property
η	0.0004450	Pa×s	556.58	Calculated Property
η	0.0003868	Pa×s	577.89	Calculated Property
η	0.0003395	Pa×s	599.19	Calculated Property
η	0.0003007	Pa×s	620.50	Calculated Property
η	0.0002684	Pa×s	641.81	Calculated Property

Similar Compounds

Find more compounds similar to 2-Iodo-5-methylbenzoic 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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