- InChI
- InChI=1S/C15H17NO/c1-11(2)10-16-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3,(H,16,17)
- InChI Key
- XDSNZMNOXYMCHQ-UHFFFAOYSA-N
- Formula
- C15H17NO
- SMILES
- CC(C)CNC(=O)c1ccc2ccccc2c1
- Molecular Weight1
- 227.31
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -116.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.45 | kJ/mol | Joback Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.226 | Crippen Calculated Property | |
| McVol | 190.540 | ml/mol | McGowan Calculated Property |
| Inp | [2157.00; 2157.00] |
|
|
| Inp | 2157.00 | NIST | |
| Inp | 2157.00 | NIST | |
| Tboil | 632.52 | K | Relay (1.0) Calculated Property |
| Tfus | 369.51 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [244.78; 607.29] | 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 | -5.73290e+01 | |||
| Coefficient B | 1.34084e+00 | |||
| Coefficient C | -9.26180e-04 | |||
| Coefficient D | 2.49960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 244.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 370.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 421.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 465.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 503.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 535.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 563.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 586.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 607.29 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthamide, N-isobutyl-.
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
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