- InChI
- InChI=1S/C15H14INO2/c1-10-7-8-13(12(16)9-10)17-15(18)11-5-3-4-6-14(11)19-2/h3-9H,1-2H3,(H,17,18)
- InChI Key
- GSWKTHFGXANGKU-UHFFFAOYSA-N
- Formula
- C15H14INO2
- SMILES
- COc1ccccc1C(=O)Nc1ccc(C)cc1I
- Molecular Weight1
- 367.18
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6861 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -91.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.861 | Crippen Calculated Property | |
| McVol | 217.930 | ml/mol | McGowan Calculated Property |
| Pc | 2490.03 | kPa | Joback Calculated Property |
| Inp | 2718.00 | NIST | |
| Tboil | 660.30 | K | Relay (1.0) Calculated Property |
| Tc | 972.63 | K | Relay (1.0) Calculated Property |
| Tfus | 420.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.59; 616.52] | J/mol×K | [830.50; 1090.02] | 
|
| Cp,gas | 558.59 | J/mol×K | 830.50 | Joback Calculated Property |
| Cp,gas | 570.96 | J/mol×K | 873.75 | Joback Calculated Property |
| Cp,gas | 582.16 | J/mol×K | 917.01 | Joback Calculated Property |
| Cp,gas | 592.25 | J/mol×K | 960.26 | Joback Calculated Property |
| Cp,gas | 601.30 | J/mol×K | 1003.52 | Joback Calculated Property |
| Cp,gas | 609.37 | J/mol×K | 1046.77 | Joback Calculated Property |
| Cp,gas | 616.52 | J/mol×K | 1090.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(2-iodo-4-methylphenyl)-2-methoxy-.
Sources
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