- InChI
- InChI=1S/C11H14INO/c1-7(2)11(14)13-10-5-4-8(3)6-9(10)12/h4-7H,1-3H3,(H,13,14)
- InChI Key
- GHLXAEZLMCTMAY-UHFFFAOYSA-N
- Formula
- C11H14INO
- SMILES
- Cc1ccc(NC(=O)C(C)C)c(I)c1
- Molecular Weight1
- 303.14
- 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 | 0.5499 | Relay (1.0) Calculated Property | |
| ΔfG° | 151.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -128.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.194 | Crippen Calculated Property | |
| McVol | 179.460 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Inp | [1931.00; 1931.00] |
|
|
| Inp | 1931.00 | NIST | |
| Inp | 1931.00 | NIST | |
| Tboil | 583.04 | K | Relay (1.0) Calculated Property |
| Tc | 838.80 | K | Relay (1.0) Calculated Property |
| Tfus | 380.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.97; 483.95] | J/mol×K | [684.46; 928.36] |
|
| Cp,gas | 418.97 | J/mol×K | 684.46 | Joback Calculated Property |
| Cp,gas | 432.01 | J/mol×K | 725.11 | Joback Calculated Property |
| Cp,gas | 444.10 | J/mol×K | 765.76 | Joback Calculated Property |
| Cp,gas | 455.28 | J/mol×K | 806.41 | Joback Calculated Property |
| Cp,gas | 465.61 | J/mol×K | 847.06 | Joback Calculated Property |
| Cp,gas | 475.15 | J/mol×K | 887.71 | Joback Calculated Property |
| Cp,gas | 483.95 | J/mol×K | 928.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(2-iodo-4-methylphenyl)-2-methyl-.
Sources
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