- InChI
- InChI=1S/C15H14INO2/c1-10-6-7-14(13(16)8-10)17-15(18)11-4-3-5-12(9-11)19-2/h3-9H,1-2H3,(H,17,18)
- InChI Key
- LVEFVYSATMNZOR-UHFFFAOYSA-N
- Formula
- C15H14INO2
- SMILES
- COc1cccc(C(=O)Nc2ccc(C)cc2I)c1
- Molecular Weight1
- 367.19
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -84.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.72 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.861 | Crippen Calculated Property | |
| McVol | 217.930 | ml/mol | McGowan Calculated Property |
| Inp | [2695.00; 2695.00] |
|
|
| Inp | 2695.00 | NIST | |
| Inp | 2695.00 | NIST | |
| Tboil | 663.64 | K | Relay (1.0) Calculated Property |
| Tc | 975.29 | K | Relay (1.0) Calculated Property |
| Tfus | 402.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 | [266.42; 600.60] | 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 | 7.68000e+00 | |||
| Coefficient B | 1.11654e+00 | |||
| Coefficient C | -6.53780e-04 | |||
| Coefficient D | 1.30160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 266.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 326.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 380.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 427.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 468.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 504.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 534.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 560.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 582.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 600.60 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(2-iodo-4-methylphenyl)-3-methoxy-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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