- InChI
- InChI=1S/C11H16F3NO3/c1-2-3-7-18-9(16)8-5-4-6-15(8)10(17)11(12,13)14/h8H,2-7H2,1H3/t8-/m1/s1
- InChI Key
- BSVKMGHOOYHLQO-MRVPVSSYSA-N
- Formula
- C11H16F3NO3
- SMILES
- CCCCOC(=O)C1CCCN1C(=O)C(F)(F)F
- Molecular Weight1
- 267.24
- CAS
- 2563-29-3
- Other Names
-
- Proline, 1-(trifluoroacetyl)-, butyl ester, L-
- Pro, butyl ester, TFA
- Pro TFA Bu
- 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).
- 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 | 0.5802 | Relay (1.0) Calculated Property | |
| ΔfG° | -793.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1239.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 66.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.883 | Crippen Calculated Property | |
| McVol | 179.290 | ml/mol | McGowan Calculated Property |
| Pc | 1757.26 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 521.69 | K | Relay (1.0) Calculated Property |
| Tc | 676.79 | K | Relay (1.0) Calculated Property |
| Tfus | 262.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.652 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, 1-(trifluoroacetyl)-, butyl 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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