- InChI
- InChI=1S/C22H27NO3/c1-16(2)8-7-15-26-22(25)20-13-6-14-23(20)21(24)19-12-5-10-17-9-3-4-11-18(17)19/h3-5,9-12,16,20H,6-8,13-15H2,1-2H3
- InChI Key
- OGFVEWSKIVZGPT-UHFFFAOYSA-N
- Formula
- C22H27NO3
- SMILES
-
CC(C)CCCOC(=O)C1CCCN1C(=O)c1cc
cc2ccccc12 - Molecular Weight1
- 353.45
- 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 | 0.8224 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -489.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.424 | Crippen Calculated Property | |
| McVol | 285.750 | ml/mol | McGowan Calculated Property |
| Pc | 1167.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2901.00; 2901.00] |
|
|
| Inp | 2901.00 | NIST | |
| Inp | 2901.00 | NIST | |
| Tboil | 716.41 | K | Relay (1.0) Calculated Property |
| Tc | 974.37 | K | Relay (1.0) Calculated Property |
| Tfus | 356.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.033 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(1-naphthoyl)-, isohexyl 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
- McGowan Method
- NIST Webbook
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