Chemical Properties of 3,5-Diiodo-4-hydroxy-benzoic acid (CAS 618-76-8)

InChI

InChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)

InChI Key

XREKTVACBXQCSB-UHFFFAOYSA-N

Formula

C7H4I2O3

SMILES

O=C(O)c1cc(I)c(O)c(I)c1

Molecular Weight¹

389.91

CAS

618-76-8

Other Names

• 4-hydroxy-3,5-diiodobenzoic acid

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[166.49; 307.40]	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			1.02800e+01
Coefficient B			7.54300e-01
Coefficient C			-7.45880e-04
Coefficient D			2.88700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.49	J/mol×K	273.00	Calculated Property
Cp,gas	196.56	J/mol×K	353.78	Calculated Property
Cp,gas	220.91	J/mol×K	434.56	Calculated Property
Cp,gas	240.42	J/mol×K	515.33	Calculated Property
Cp,gas	256.03	J/mol×K	596.11	Calculated Property
Cp,gas	268.65	J/mol×K	676.89	Calculated Property
Cp,gas	279.18	J/mol×K	757.67	Calculated Property
Cp,gas	288.54	J/mol×K	838.44	Calculated Property
Cp,gas	297.64	J/mol×K	919.22	Calculated Property
Cp,gas	307.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000922; 0.0000165]	Pa×s	[608.55; 774.06]	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			-1.73321e+01
Coefficient B			4.89302e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			608.55
Temperature range, max.			774.06
η	0.0000922	Pa×s	608.55	Calculated Property
η	0.0000728	Pa×s	626.94	Calculated Property
η	0.0000583	Pa×s	645.33	Calculated Property
η	0.0000473	Pa×s	663.72	Calculated Property
η	0.0000387	Pa×s	682.11	Calculated Property
η	0.0000321	Pa×s	700.50	Calculated Property
η	0.0000268	Pa×s	718.89	Calculated Property
η	0.0000226	Pa×s	737.28	Calculated Property
η	0.0000193	Pa×s	755.67	Calculated Property
η	0.0000165	Pa×s	774.06	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Diiodo-4-hydroxy-benzoic 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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