- InChI
- InChI=1S/C10H14F3NO4/c1-5(2)18-8(16)7-3-6(15)4-14(7)9(17)10(11,12)13/h5-7,15H,3-4H2,1-2H3
- InChI Key
- OGJAAWUKJRYTCF-UHFFFAOYSA-N
- Formula
- C10H14F3NO4
- SMILES
-
CC(C)OC(=O)C1CC(O)CN1C(=O)C(F)
(F)F - Molecular Weight1
- 269.22
- Other Names
-
- Hydroxyproline, 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 | 0.6317 | Relay (... Calculated Property | |
| ΔfG° | -911.85 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1413.78 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.68 | kJ/mol | Relay (... Calculated Property |
| IE | 9.64 | eV | Relay (... Calculated Property |
| log10WS | -0.82 | Relay (... Calculated Property | |
| logPoct/wat | 0.462 | Crippen Calculated Property | |
| McVol | 171.070 | ml/mol | McGowan Calculated Property |
| Pc | 1595.90 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1332.00; 1381.00] |
|
|
| Inp | 1332.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Tboil | 519.53 | K | Relay (... Calculated Property |
| Tc | 692.06 | K | Relay (... Calculated Property |
| Tfus | 329.64 | K | Relay (... Calculated Property |
| Vc | 0.631 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to hydroxyproline, 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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