- InChI
- InChI=1S/C15H15NO/c1-12-6-5-9-14(10-12)16-15(17)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,16,17)
- InChI Key
- XIZNMZFOCKTOLH-UHFFFAOYSA-N
- Formula
- C15H15NO
- SMILES
- Cc1cccc(NC(=O)Cc2ccccc2)c1
- Molecular Weight1
- 225.29
- 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 | 0.6134 | Relay (1.0) Calculated Property | |
| ΔfG° | 251.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.176 | Crippen Calculated Property | |
| McVol | 186.240 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [2046.00; 2046.00] |
|
|
| Inp | 2046.00 | NIST | |
| Inp | 2046.00 | NIST | |
| Tboil | 617.49 | K | Relay (1.0) Calculated Property |
| Tc | 913.62 | K | Relay (1.0) Calculated Property |
| Tfus | 366.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.676 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.97; 566.63] | J/mol×K | [704.98; 944.48] |
|
| Cp,gas | 491.97 | J/mol×K | 704.98 | Joback Calculated Property |
| Cp,gas | 507.21 | J/mol×K | 744.90 | Joback Calculated Property |
| Cp,gas | 521.23 | J/mol×K | 784.81 | Joback Calculated Property |
| Cp,gas | 534.11 | J/mol×K | 824.73 | Joback Calculated Property |
| Cp,gas | 545.92 | J/mol×K | 864.65 | Joback Calculated Property |
| Cp,gas | 556.74 | J/mol×K | 904.56 | Joback Calculated Property |
| Cp,gas | 566.63 | J/mol×K | 944.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-methylphenyl)-2-phenyl-.
Sources
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