- InChI
- InChI=1S/C15H14F5NO3/c1-2-6-24-15(23)7-4-3-5-21(7)14(22)8-9(16)11(18)13(20)12(19)10(8)17/h7H,2-6H2,1H3
- InChI Key
- FFNZJZLABNDQQQ-UHFFFAOYSA-N
- Formula
- C15H14F5NO3
- SMILES
-
CCCOC(=O)C1CCCN1C(=O)c1c(F)c(F
)c(F)c(F)c1F - Molecular Weight1
- 351.27
- 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 | 0.7384 | Relay (1.0) Calculated Property | |
| ΔfG° | -940.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1256.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.940 | Crippen Calculated Property | |
| McVol | 215.430 | ml/mol | McGowan Calculated Property |
| Pc | 1581.83 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1908.00; 1908.00] |
|
|
| Inp | 1908.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Tboil | 593.42 | K | Relay (1.0) Calculated Property |
| Tc | 798.70 | K | Relay (1.0) Calculated Property |
| Tfus | 332.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.799 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(pentafluorobenzoyl)-, 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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