- InChI
- InChI=1S/C13H18F5NO3/c1-2-3-4-8-22-10(20)9-6-5-7-19(9)11(21)12(14,15)13(16,17)18/h9H,2-8H2,1H3
- InChI Key
- ODIMTPWSPZZDJV-UHFFFAOYSA-N
- Formula
- C13H18F5NO3
- SMILES
-
CCCCCOC(=O)C1CCCN1C(=O)C(F)(F)
C(F)(F)F - Molecular Weight1
- 331.28
- 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 | 0.6680 | Relay (1.0) Calculated Property | |
| ΔfG° | -1201.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1704.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.908 | Crippen Calculated Property | |
| McVol | 211.010 | ml/mol | McGowan Calculated Property |
| Pc | 1414.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1573.00; 1573.00] |
|
|
| Inp | 1573.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Tboil | 528.84 | K | Relay (1.0) Calculated Property |
| Tc | 679.26 | K | Relay (1.0) Calculated Property |
| Tfus | 276.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, n-pentafluoropropionyl-, pentyl 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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