- InChI
- InChI=1S/C29H42F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-38-29(37)21-18-17-19-35(21)28(36)22-23(30)25(32)27(34)26(33)24(22)31/h21H,2-20H2,1H3
- InChI Key
- QRBOVKBZVDQWBT-UHFFFAOYSA-N
- Formula
- C29H42F5NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C1CCCN1
C(=O)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 547.64
- 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 | 1.2750 | Relay (1.0) Calculated Property | |
| ΔfG° | -789.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1530.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.401 | Crippen Calculated Property | |
| McVol | 412.690 | ml/mol | McGowan Calculated Property |
| Pc | 294.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3347.00; 3347.00] |
|
|
| Inp | 3347.00 | NIST | |
| Inp | 3347.00 | NIST | |
| Tboil | 710.62 | K | Relay (1.0) Calculated Property |
| Tc | 919.82 | K | Relay (1.0) Calculated Property |
| Tfus | 353.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.548 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(pentafluorobenzoyl)-, heptadecyl 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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