- InChI
- InChI=1S/C16H19NO/c1-12(2)9-10-17-16(18)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)
- InChI Key
- NJYPSVBHHXWASY-UHFFFAOYSA-N
- Formula
- C16H19NO
- SMILES
- CC(C)CCNC(=O)c1ccc2ccccc2c1
- Molecular Weight1
- 241.33
- 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 | -134.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.04 | kJ/mol | Joback Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.616 | Crippen Calculated Property | |
| McVol | 204.630 | ml/mol | McGowan Calculated Property |
| Inp | [2273.00; 2273.00] |
|
|
| Inp | 2273.00 | NIST | |
| Inp | 2273.00 | NIST | |
| Tboil | 646.46 | K | Relay (1.0) Calculated Property |
| Tfus | 359.54 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.94; 643.57] | J/mol×K | [719.92; 943.73] |
|
| Cp,gas | 564.94 | J/mol×K | 719.92 | Joback Calculated Property |
| Cp,gas | 580.46 | J/mol×K | 757.22 | Joback Calculated Property |
| Cp,gas | 594.90 | J/mol×K | 794.52 | Joback Calculated Property |
| Cp,gas | 608.35 | J/mol×K | 831.83 | Joback Calculated Property |
| Cp,gas | 620.89 | J/mol×K | 869.13 | Joback Calculated Property |
| Cp,gas | 632.61 | J/mol×K | 906.43 | Joback Calculated Property |
| Cp,gas | 643.57 | J/mol×K | 943.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthamide, N-(3-methylbutyl)-.
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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