- InChI
- InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
- InChI Key
- OIRFJRBSRORBCM-UHFFFAOYSA-N
- Formula
- C11H12I3NO2
- SMILES
- CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O
- Molecular Weight1
- 570.93
- CAS
- 96-83-3
- Other Names
-
- (+) 3-[3-(Amino-2,4,6-triiodophenyl]-2-ethylpropanoic acid (iopanoic acid)
- (.+/-.)-Iopanoic acid
- 2-(3-Amino-2,4,6-triiodobenzyl)butyric acid
- 2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid
- 3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid
- 3-Amino-«alpha»-ethyl-2,4,6-triiodobenzenepropanoic acid
- 3-Amino-«alpha»-ethyl-2,4,6-triiodohydrocinnamic acid
- 3-Amino-«alpha»-ethyl-2,4,6-triiodobenzenepropanoic acid
- 3-Amino-«alpha»-ethyl-2,4,6-triiodohydrocinnamic acid
- Benzenepropanoic acid, 3-amino-«alpha»-ethyl-2,4,6-triiodo-
- Benzenepropanoic acid, 3-amino-«alpha»-ethyl-2,4,6-triiodo-, (.+/-.)-
- Benzenepropanoic acid, 3-amino-«alpha»-ethyl-2,4,6-triiodo-
- Benzenepropanoic acid, 3-amino-«alpha»-ethyl-2,4,6-triiodo-, (.+/-.)-
- Bilijodon
- Choladine
- Cholevid
- Cistobil
- Colepax
- Copanoic
- Hydrocinnamic acid, 3-amino-«alpha»-ethyl-2,4,6-triiodo-
- Hydrocinnamic acid, 3-amino-«alpha»-ethyl-2,4,6-triiodo-
- Iodopanic acid
- Iodopanoic acid
- Iopagnost
- Iopanoicum
- Jopagnost
- Jopanoic acid
- NSC 41706
- Polognost
- Telepaque
- Teletrast
- «alpha»-Ethyl-«beta»-(3-amino-2,4,6-triiodophenyl)propionic acid
- «beta»-(3-Amino-2,4,6-triiodophenyl)-«alpha»-ethylpropionic acid
- «alpha»-Ethyl-«beta»-(3-amino-2,4,6-triiodophenyl)propionic acid
- «beta»-(3-Amino-2,4,6-triiodophenyl)-«alpha»-ethylpropionic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 88.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.48 | Aq. Sol... | |
| logPoct/wat | 3.736 | Crippen Calculated Property | |
| McVol | 236.970 | ml/mol | McGowan Calculated Property |
| Pc | 2925.00 | kPa | Joback Calculated Property |
| Tboil | 995.24 | K | Joback Calculated Property |
| Tc | 1267.45 | K | Joback Calculated Property |
| Tfus | 428.35 | K | Aq. Sol... |
| Vc | 0.856 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.03; 569.36] | J/mol×K | [995.24; 1267.45] | 
|
| Cp,gas | 527.03 | J/mol×K | 995.24 | Joback Calculated Property |
| Cp,gas | 534.67 | J/mol×K | 1040.61 | Joback Calculated Property |
| Cp,gas | 541.95 | J/mol×K | 1085.98 | Joback Calculated Property |
| Cp,gas | 548.95 | J/mol×K | 1131.35 | Joback Calculated Property |
| Cp,gas | 555.79 | J/mol×K | 1176.71 | Joback Calculated Property |
| Cp,gas | 562.56 | J/mol×K | 1222.08 | Joback Calculated Property |
| Cp,gas | 569.36 | J/mol×K | 1267.45 | Joback Calculated Property |
| ΔfusH | 27.70 | kJ/mol | 427.00 | NIST |
Similar Compounds
Find more compounds similar to Iopanoic Acid.
Sources
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