- InChI
- InChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13/h4H,1-3H2,(H,12,13)/t4-/m1/s1
- InChI Key
- PHJVUZNDIHXSDI-SCSAIBSYSA-N
- Formula
- C7H8F3NO3
- SMILES
- O=C(O)C1CCCN1C(=O)C(F)(F)F
- Molecular Weight1
- 211.14
- CAS
- 134454-19-6
- Other Names
-
- L-Proline, N-trifluoroacetyl-
- 1-(Trifluoroacetyl)proline
- 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 | 0.6328 | Relay (... Calculated Property | |
| ΔfG° | -836.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1169.12 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 75.51 | kJ/mol | Relay (... Calculated Property |
| IE | 9.76 | eV | Relay (... Calculated Property |
| log10WS | -0.43 | Relay (... Calculated Property | |
| logPoct/wat | 0.624 | Crippen Calculated Property | |
| McVol | 122.930 | ml/mol | McGowan Calculated Property |
| Pc | 2607.63 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1374.80; 1374.80] |
|
|
| Inp | 1374.80 | NIST | |
| Inp | 1374.80 | NIST | |
| Tboil | 502.79 | K | Relay (... Calculated Property |
| Tc | 681.20 | K | Relay (... Calculated Property |
| Tfus | 372.57 | K | Relay (... Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Proline, N-(trifluoroacetyl)-.
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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