- InChI
- InChI=1S/C13H16F7NO3/c1-7(2)6-24-9(22)8-4-3-5-21(8)10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,3-6H2,1-2H3
- InChI Key
- CUIFOXVDOLOLQM-UHFFFAOYSA-N
- Formula
- C13H16F7NO3
- SMILES
-
CC(C)COC(=O)C1CCCN1C(=O)C(F)(F
)C(F)(F)C(F)(F)F - Molecular Weight1
- 367.26
- Other Names
-
- Proline, isobutyl ester, HFB
- 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 | 0.6442 | Relay (... Calculated Property | |
| ΔfG° | -1596.74 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2108.15 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 70.78 | kJ/mol | Relay (... Calculated Property |
| IE | 9.63 | eV | Relay (... Calculated Property |
| log10WS | -4.18 | Relay (... Calculated Property | |
| logPoct/wat | 3.010 | Crippen Calculated Property | |
| McVol | 214.550 | ml/mol | McGowan Calculated Property |
| Pc | 1243.69 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1468.00; 1468.00] |
|
|
| Inp | 1468.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Tboil | 524.51 | K | Relay (... Calculated Property |
| Tc | 670.44 | K | Relay (... Calculated Property |
| Tfus | 278.17 | K | Relay (... Calculated Property |
| Vc | 0.803 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, n-heptafluorobutyryl-, isobutyl 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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