- InChI
- InChI=1S/C15H18FNO3/c1-2-10-20-15(19)13-4-3-9-17(13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3
- InChI Key
- PTLFIPJELGPOFG-UHFFFAOYSA-N
- Formula
- C15H18FNO3
- SMILES
-
CCCOC(=O)C1CCCN1C(=O)c1ccc(F)c
c1 - Molecular Weight1
- 279.31
- 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 | 0.6614 | Relay (1.0) Calculated Property | |
| ΔfG° | -273.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -682.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.384 | Crippen Calculated Property | |
| McVol | 208.350 | ml/mol | McGowan Calculated Property |
| Pc | 1829.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2102.00; 2102.00] |
|
|
| Inp | 2102.00 | NIST | |
| Inp | 2102.00 | NIST | |
| Tboil | 627.15 | K | Relay (1.0) Calculated Property |
| Tc | 831.33 | K | Relay (1.0) Calculated Property |
| Tfus | 319.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.751 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(4-fluorobenzoyl)-, propyl 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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