- InChI
- InChI=1S/C17H27NO/c1-4-6-7-8-9-13-17(19)18(5-2)16-12-10-11-15(3)14-16/h10-12,14H,4-9,13H2,1-3H3
- InChI Key
- RTKPBOCQCMXBJO-UHFFFAOYSA-N
- Formula
- C17H27NO
- SMILES
- CCCCCCCC(=O)N(CC)c1cccc(C)c1
- Molecular Weight1
- 261.40
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -299.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.708 | Crippen Calculated Property | |
| McVol | 238.180 | ml/mol | McGowan Calculated Property |
| Inp | [1925.00; 1925.00] |
|
|
| Inp | 1925.00 | NIST | |
| Inp | 1925.00 | NIST | |
| Tboil | 607.05 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [327.84; 801.86] | 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 | -3.55030e+01 | |||
| Coefficient B | 1.57636e+00 | |||
| Coefficient C | -9.59060e-04 | |||
| Coefficient D | 2.20060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 327.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 411.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 486.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 552.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 610.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 660.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 704.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 741.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 774.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 801.86 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Octanamide, N-ethyl-N-(3-methylphenyl)-.
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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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