- InChI
- InChI=1S/C7H4INO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
- InChI Key
- GFGURBBHVJTXDU-UHFFFAOYSA-N
- Formula
- C7H4INO4
- SMILES
-
O=C(O)c1cc(I)cc([N+](=O)[O-])c
1 - Molecular Weight1
- 293.02
- CAS
- 6313-17-3
- 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).
- 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° | -70.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 1.898 | Crippen Calculated Property | |
| McVol | 136.410 | ml/mol | McGowan Calculated Property |
| Pc | 4795.85 | kPa | Joback Calculated Property |
| Tboil | 787.23 | K | Joback Calculated Property |
| Tc | 1045.32 | K | Joback Calculated Property |
| Tfus | 532.53 | K | Joback Calculated Property |
| Vc | 0.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.45; 322.78] | J/mol×K | [787.23; 1045.32] | 
|
| Cp,gas | 294.45 | J/mol×K | 787.23 | Joback Calculated Property |
| Cp,gas | 300.44 | J/mol×K | 830.24 | Joback Calculated Property |
| Cp,gas | 305.86 | J/mol×K | 873.26 | Joback Calculated Property |
| Cp,gas | 310.74 | J/mol×K | 916.27 | Joback Calculated Property |
| Cp,gas | 315.16 | J/mol×K | 959.29 | Joback Calculated Property |
| Cp,gas | 319.15 | J/mol×K | 1002.30 | Joback Calculated Property |
| Cp,gas | 322.78 | J/mol×K | 1045.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Iodo-5-nitrobenzoic acid.
Sources
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