- InChI
- InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
- InChI Key
- LJOZMWRYMKECFF-UHFFFAOYSA-N
- Formula
- C13H10INO
- SMILES
- O=C(Nc1ccccc1)c1ccccc1I
- Molecular Weight1
- 323.13
- 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 | 0.5640 | Relay (1.0) Calculated Property | |
| ΔfG° | 292.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 107.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Aq. Solubility Prediction | |
| logPoct/wat | 3.544 | Crippen Calculated Property | |
| McVol | 183.880 | ml/mol | McGowan Calculated Property |
| Pc | 3210.04 | kPa | Joback Calculated Property |
| Tboil | 641.17 | K | Relay (1.0) Calculated Property |
| Tc | 971.64 | K | Relay (1.0) Calculated Property |
| Tfus | 409.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.17; 489.41] | J/mol×K | [752.36; 1028.05] | 
|
| Cp,gas | 432.17 | J/mol×K | 752.36 | Joback Calculated Property |
| Cp,gas | 444.31 | J/mol×K | 798.31 | Joback Calculated Property |
| Cp,gas | 455.24 | J/mol×K | 844.26 | Joback Calculated Property |
| Cp,gas | 465.10 | J/mol×K | 890.20 | Joback Calculated Property |
| Cp,gas | 474.00 | J/mol×K | 936.15 | Joback Calculated Property |
| Cp,gas | 482.06 | J/mol×K | 982.10 | Joback Calculated Property |
| Cp,gas | 489.41 | J/mol×K | 1028.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Iodo-N-phenylbenzamide.
Sources
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