- InChI
- InChI=1S/C16H16INO/c1-12-7-9-15(14(17)11-12)18-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19)
- InChI Key
- IMJDTVSOVXJMMY-UHFFFAOYSA-N
- Formula
- C16H16INO
- SMILES
- Cc1ccc(NC(=O)CCc2ccccc2)c(I)c1
- Molecular Weight1
- 365.21
- 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 | 0.6626 | Relay (1.0) Calculated Property | |
| ΔfG° | 307.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 29.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.171 | Crippen Calculated Property | |
| McVol | 226.150 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Inp | [2607.00; 2607.00] |
|
|
| Inp | 2607.00 | NIST | |
| Inp | 2607.00 | NIST | |
| Tboil | 654.88 | K | Relay (1.0) Calculated Property |
| Tc | 963.49 | K | Relay (1.0) Calculated Property |
| Tfus | 372.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.780 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.36; 654.29] | J/mol×K | [825.98; 1083.56] |
|
| Cp,gas | 589.36 | J/mol×K | 825.98 | Joback Calculated Property |
| Cp,gas | 602.67 | J/mol×K | 868.91 | Joback Calculated Property |
| Cp,gas | 614.85 | J/mol×K | 911.84 | Joback Calculated Property |
| Cp,gas | 625.99 | J/mol×K | 954.77 | Joback Calculated Property |
| Cp,gas | 636.21 | J/mol×K | 997.70 | Joback Calculated Property |
| Cp,gas | 645.61 | J/mol×K | 1040.63 | Joback Calculated Property |
| Cp,gas | 654.29 | J/mol×K | 1083.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(2-iodo-4-methylphenyl)-3-phenyl-.
Sources
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