Chemical Properties of 3-Acetamido-2,4,6-triiodobenzoic acid (CAS 85-36-9)

InChI

InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)

InChI Key

GNOGSFBXBWBTIG-UHFFFAOYSA-N

Formula

C9H6I3NO3

SMILES

CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I

Molecular Weight¹

556.86

CAS

85-36-9

Other Names

• Acetrizoic acid
• 3-Acetamino-2,4,6-triiodobenzoic acid
• Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-
• Benzoic acid, 3-acetamido-2,4,6-triiodo-
• 3-(Acetylamino)-2,4,6-triiodobenzoic acid
• Acido 3-acetilamino-2,4,6-triiodobenzoico

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.90; 440.48]	J/mol×K	[981.43; 1256.31]
Cp,gas	411.90	J/mol×K	981.43	Joback Calculated Property
Cp,gas	417.14	J/mol×K	1027.24	Joback Calculated Property
Cp,gas	422.08	J/mol×K	1073.06	Joback Calculated Property
Cp,gas	426.80	J/mol×K	1118.87	Joback Calculated Property
Cp,gas	431.39	J/mol×K	1164.69	Joback Calculated Property
Cp,gas	435.92	J/mol×K	1210.50	Joback Calculated Property
Cp,gas	440.48	J/mol×K	1256.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Acetamido-2,4,6-triiodobenzoic acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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