- InChI
- InChI=1S/C15H20F7NO3/c1-9(2)5-4-8-26-11(24)10-6-3-7-23(10)12(25)13(16,17)14(18,19)15(20,21)22/h9-10H,3-8H2,1-2H3
- InChI Key
- IHQXSPLYNGYVCE-UHFFFAOYSA-N
- Formula
- C15H20F7NO3
- SMILES
-
CC(C)CCCOC(=O)C1CCCN1C(=O)C(F)
(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 395.31
- 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 | 0.7131 | Relay (... Calculated Property | |
| ΔfG° | -1579.68 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2154.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 77.13 | kJ/mol | Relay (... Calculated Property |
| IE | 9.50 | eV | Relay (... Calculated Property |
| log10WS | -4.88 | Relay (... Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 242.730 | ml/mol | McGowan Calculated Property |
| Pc | 1100.07 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1639.00 | NIST | |
| Tboil | 549.09 | K | Relay (... Calculated Property |
| Tc | 694.48 | K | Relay (... Calculated Property |
| Tfus | 279.99 | K | Relay (... Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, n-heptafluorobutyryl-, isohexyl 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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