- InChI
- InChI=1S/C22H31NO/c1-2-3-4-5-6-7-8-9-12-17-23-22(24)21-16-15-19-13-10-11-14-20(19)18-21/h10-11,13-16,18H,2-9,12,17H2,1H3,(H,23,24)
- InChI Key
- RDVZIVBNJRQIGS-UHFFFAOYSA-N
- Formula
- C22H31NO
- SMILES
-
CCCCCCCCCCCN=C(O)c1ccc2ccccc2c
1 - Molecular Weight1
- 325.49
- 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 | 1.0909 | Relay (1.0) Calculated Property | |
| ΔfG° | 215.64 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -261.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 138.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.675 | Crippen Calculated Property | |
| McVol | 289.170 | ml/mol | McGowan Calculated Property |
| Pc | 1296.73 | kPa | Joback Calculated Property |
| Inp | [2967.00; 2967.00] |
|
|
| Inp | 2967.00 | NIST | |
| Inp | 2967.00 | NIST | |
| Tboil | 704.24 | K | Relay (1.0) Calculated Property |
| Tc | 946.14 | K | Relay (1.0) Calculated Property |
| Tfus | 387.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.068 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthamide, N-undecyl-.
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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