- InChI
- InChI=1S/C11H12F7NO3/c1-2-22-7(20)6-4-3-5-19(6)8(21)9(12,13)10(14,15)11(16,17)18/h6H,2-5H2,1H3
- InChI Key
- FDCZUNMXHDNQHK-UHFFFAOYSA-N
- Formula
- C11H12F7NO3
- SMILES
-
CCOC(=O)C1CCCN1C(=O)C(F)(F)C(F
)(F)C(F)(F)F - Molecular Weight1
- 339.21
- 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 | 0.5773 | Relay (1.0) Calculated Property | |
| ΔfG° | -1602.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2044.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.373 | Crippen Calculated Property | |
| McVol | 186.370 | ml/mol | McGowan Calculated Property |
| Pc | 1453.84 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1344.00; 1344.00] |
|
|
| Inp | 1344.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Tboil | 497.95 | K | Relay (1.0) Calculated Property |
| Tc | 650.97 | K | Relay (1.0) Calculated Property |
| Tfus | 270.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, n-heptafluorobutyryl-, ethyl 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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