- InChI
- InChI=1S/C11H12INO3/c1-2-16-11(15)8-3-5-9(6-4-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)
- InChI Key
- TZYCRJNOEXMIEG-UHFFFAOYSA-N
- Formula
- C11H12INO3
- SMILES
- CCOC(=O)c1ccc(NC(=O)CI)cc1
- Molecular Weight1
- 333.12
- CAS
- 116465-51-1
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7017 | Relay (1.0) Calculated Property | |
| ΔfG° | -70.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.237 | Crippen Calculated Property | |
| McVol | 186.900 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Tboil | 632.25 | K | Relay (1.0) Calculated Property |
| Tc | 888.31 | K | Relay (1.0) Calculated Property |
| Tfus | 434.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.16; 507.24] | J/mol×K | [756.21; 996.12] | 
|
| Cp,gas | 454.16 | J/mol×K | 756.21 | Joback Calculated Property |
| Cp,gas | 465.17 | J/mol×K | 796.19 | Joback Calculated Property |
| Cp,gas | 475.27 | J/mol×K | 836.18 | Joback Calculated Property |
| Cp,gas | 484.49 | J/mol×K | 876.16 | Joback Calculated Property |
| Cp,gas | 492.86 | J/mol×K | 916.15 | Joback Calculated Property |
| Cp,gas | 500.44 | J/mol×K | 956.13 | Joback Calculated Property |
| Cp,gas | 507.24 | J/mol×K | 996.12 | Joback Calculated Property |
Similar Compounds
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Sources
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