Chemical Properties of Benzoic acid, 2-hydroxy-3,5-diiodo- (CAS 133-91-5)

InChI

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

InChI Key

DHZVWQPHNWDCFS-UHFFFAOYSA-N

Formula

C7H4I2O3

SMILES

O=C(O)c1cc(I)cc(I)c1O

Molecular Weight¹

389.91

CAS

133-91-5

Other Names

• 2-Hydroxy-3,5-diiodobenzenecarboxylic acid
• 2-Hydroxy-3,5-diiodobenzoate
• 2-Hydroxy-3,5-diiodobenzoic acid
• 3,5-Diiodo-2-hydroxybenzoic acid
• 3,5-Diiodosalicylic acid
• Benzoic acid, 3,5-diiodo-2-hydroxy-
• NSC 6303
• Salicylic acid, 3,5-diiodo-

• 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).
• 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, Enthalpy of vaporization at standard conditions, 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	[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	[0.0004668; 0.0000165]	Pa×s	[506.40; 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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			506.40
Temperature range, max.			774.06
η	0.0004668	Pa×s	506.40	Calculated Property
η	0.0002731	Pa×s	536.14	Calculated Property
η	0.0001690	Pa×s	565.88	Calculated Property
η	0.0001098	Pa×s	595.62	Calculated Property
η	0.0000743	Pa×s	625.36	Calculated Property
η	0.0000521	Pa×s	655.10	Calculated Property
η	0.0000376	Pa×s	684.84	Calculated Property
η	0.0000280	Pa×s	714.58	Calculated Property
η	0.0000213	Pa×s	744.32	Calculated Property
η	0.0000165	Pa×s	774.06	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-hydroxy-3,5-diiodo-.

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
• Joback Method
• Aqueous Solubility Prediction 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.