- InChI
- InChI=1S/C22H29NO3/c1-2-3-4-5-6-9-17-26-21(24)15-16-23-22(25)20-14-10-12-18-11-7-8-13-19(18)20/h7-8,10-14H,2-6,9,15-17H2,1H3,(H,23,25)
- InChI Key
- YMABQZKZJPTCBJ-UHFFFAOYSA-N
- Formula
- C22H29NO3
- SMILES
-
CCCCCCCCOC(=O)CCN=C(O)c1cccc2c
cccc12 - Molecular Weight1
- 355.47
- 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 | 1.1308 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -550.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.438 | Crippen Calculated Property | |
| McVol | 296.610 | ml/mol | McGowan Calculated Property |
| Pc | 1340.78 | kPa | Joback Calculated Property |
| Inp | [3213.00; 3213.00] |
|
|
| Inp | 3213.00 | NIST | |
| Inp | 3213.00 | NIST | |
| Tboil | 705.71 | K | Relay (1.0) Calculated Property |
| Tc | 963.90 | K | Relay (1.0) Calculated Property |
| Tfus | 382.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.079 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(1-naphthoyl)-, octyl ester.
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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