- InChI
- InChI=1S/C17H23NO3/c1-3-4-6-13-8-10-14(11-9-13)16(19)18-12-5-7-15(18)17(20)21-2/h8-11,15H,3-7,12H2,1-2H3
- InChI Key
- WXUPAZIYYXZGDA-UHFFFAOYSA-N
- Formula
- C17H23NO3
- SMILES
-
CCCCc1ccc(C(=O)N2CCCC2C(=O)OC)
cc1 - Molecular Weight1
- 289.37
- 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 | 0.7247 | Relay (1.0) Calculated Property | |
| ΔfG° | -75.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -512.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.807 | Crippen Calculated Property | |
| McVol | 234.760 | ml/mol | McGowan Calculated Property |
| Pc | 1499.06 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2313.00; 2313.00] |
|
|
| Inp | 2313.00 | NIST | |
| Inp | 2313.00 | NIST | |
| Tboil | 643.18 | K | Relay (1.0) Calculated Property |
| Tc | 862.28 | K | Relay (1.0) Calculated Property |
| Tfus | 321.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.847 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, N-(4-butylbenzoyl)-, methyl 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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