- InChI
- InChI=1S/C14H13NO/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12H,11H2
- InChI Key
- CEIHCMMUIHDOQQ-UHFFFAOYSA-N
- Formula
- C14H13NO
- SMILES
- O=CN(Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 211.26
- CAS
- 16350-99-5
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 83.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.850 | Crippen Calculated Property | |
| McVol | 172.150 | ml/mol | McGowan Calculated Property |
| Tboil | 616.49 | K | Relay (1.0) Calculated Property |
| Tfus | 309.82 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.38; 533.36] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.69390e+01 | |||
| Coefficient B | 1.27440e+00 | |||
| Coefficient C | -9.05800e-04 | |||
| Coefficient D | 2.41700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 271.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 325.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 372.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 412.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 445.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 473.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 497.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 516.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 533.36 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Formanilide, n-benzyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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