- InChI
- InChI=1S/C17H19NO/c19-17(14-8-2-1-3-9-14)18-16-12-6-10-13-7-4-5-11-15(13)16/h4-7,10-12,14H,1-3,8-9H2,(H,18,19)
- InChI Key
- ZHOHTMQQHGOXDV-UHFFFAOYSA-N
- Formula
- C17H19NO
- SMILES
- OC(=Nc1cccc2ccccc12)C1CCCCC1
- Molecular Weight1
- 253.34
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7429 | Relay (1.0) Calculated Property | |
| ΔfG° | 223.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -80.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.008 | Crippen Calculated Property | |
| McVol | 207.860 | ml/mol | McGowan Calculated Property |
| Pc | 2284.95 | kPa | Joback Calculated Property |
| Inp | [2412.00; 2412.00] |
|
|
| Inp | 2412.00 | NIST | |
| Inp | 2412.00 | NIST | |
| Tboil | 669.61 | K | Relay (1.0) Calculated Property |
| Tc | 957.69 | K | Relay (1.0) Calculated Property |
| Tfus | 427.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N-(1-naphthyl)-.
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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