- InChI
- InChI=1S/C19H28F7NO3/c1-2-3-4-5-6-7-8-9-13-30-15(28)14-11-10-12-27(14)16(29)17(20,21)18(22,23)19(24,25)26/h14H,2-13H2,1H3
- InChI Key
- RBWZUOAVMQQOAD-UHFFFAOYSA-N
- Formula
- C19H28F7NO3
- SMILES
-
CCCCCCCCCCOC(=O)C1CCCN1C(=O)C(
F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 451.42
- 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 | 0.8949 | Relay (... Calculated Property | |
| ΔfG° | -1537.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2213.46 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.92 | kJ/mol | Relay (... Calculated Property |
| IE | 9.42 | eV | Relay (... Calculated Property |
| log10WS | -6.23 | Relay (... Calculated Property | |
| logPoct/wat | 5.494 | Crippen Calculated Property | |
| McVol | 299.090 | ml/mol | McGowan Calculated Property |
| Pc | 763.41 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2073.00 | NIST | |
| Tboil | 595.06 | K | Relay (... Calculated Property |
| Tc | 736.51 | K | Relay (... Calculated Property |
| Tfus | 284.20 | K | Relay (... Calculated Property |
| Vc | 1.123 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, n-heptafluorobutyryl-, decyl 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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