Chemical Properties of 4-Iodophenylacetic acid (CAS 1798-06-7)

InChI

InChI=1S/C8H7IO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChI Key

FJSHTWVDFAUNCO-UHFFFAOYSA-N

Formula

C8H7IO2

SMILES

O=C(O)Cc1ccc(I)cc1

Molecular Weight¹

262.04

CAS

1798-06-7

Other Names

• Benzeneacetic acid, 4-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).
• 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).
• P_c : Critical Pressure (kPa).
• 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 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	[151.19; 330.44]	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			-7.69900e+00
Coefficient B			7.15200e-01
Coefficient C			-5.29560e-04
Coefficient D			1.52500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.19	J/mol×K	273.00	Calculated Property
Cp,gas	185.80	J/mol×K	353.78	Calculated Property
Cp,gas	215.61	J/mol×K	434.56	Calculated Property
Cp,gas	241.10	J/mol×K	515.33	Calculated Property
Cp,gas	262.76	J/mol×K	596.11	Calculated Property
Cp,gas	281.07	J/mol×K	676.89	Calculated Property
Cp,gas	296.51	J/mol×K	757.67	Calculated Property
Cp,gas	309.57	J/mol×K	838.44	Calculated Property
Cp,gas	320.72	J/mol×K	919.22	Calculated Property
Cp,gas	330.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012835; 0.0002705]	Pa×s	[437.52; 637.68]	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			-1.16185e+01
Coefficient B			2.17024e+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.			437.52
Temperature range, max.			637.68
η	0.0012835	Pa×s	437.52	Calculated Property
η	0.0010097	Pa×s	459.76	Calculated Property
η	0.0008121	Pa×s	482.00	Calculated Property
η	0.0006658	Pa×s	504.24	Calculated Property
η	0.0005551	Pa×s	526.48	Calculated Property
η	0.0004697	Pa×s	548.72	Calculated Property
η	0.0004026	Pa×s	570.96	Calculated Property
η	0.0003492	Pa×s	593.20	Calculated Property
η	0.0003059	Pa×s	615.44	Calculated Property
η	0.0002705	Pa×s	637.68	Calculated Property

Similar Compounds

Find more compounds similar to 4-Iodophenylacetic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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