- InChI
- InChI=1S/C10H14F3NO3/c1-6(2)17-8(15)7-4-3-5-14(7)9(16)10(11,12)13/h6-7H,3-5H2,1-2H3
- InChI Key
- AYEKUPVTUSWPOX-UHFFFAOYSA-N
- Formula
- C10H14F3NO3
- SMILES
-
CC(C)OC(=O)C1CCCN1C(=O)C(F)(F)
F - Molecular Weight1
- 253.22
- Other Names
-
- Proline, N-trifluoroacetyl, 1-methylethyl ester
- 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 | 0.5018 | Relay (1.0) Calculated Property | |
| ΔfG° | -800.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1235.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.491 | Crippen Calculated Property | |
| McVol | 165.200 | ml/mol | McGowan Calculated Property |
| Pc | 1731.06 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1283.00; 1331.00] |
|
|
| Inp | 1283.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Tboil | 491.64 | K | Relay (1.0) Calculated Property |
| Tc | 656.88 | K | Relay (1.0) Calculated Property |
| Tfus | 288.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.605 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to proline, trifluoroacetyl-isopropyl 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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