- InChI
- InChI=1S/C30H45F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-38-29(37)27-18-17-21-35(27)28(36)25-23-24(31)19-20-26(25)30(32,33)34/h19-20,23,27H,2-18,21-22H2,1H3
- InChI Key
- HBPFSWWZYRECRH-UHFFFAOYSA-N
- Formula
- C30H45F4NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C1CCCN1
C(=O)c1cc(F)ccc1C(F)(F)F - Molecular Weight1
- 543.68
- 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 | 1.2546 | Relay (1.0) Calculated Property | |
| ΔfG° | -690.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1604.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.864 | Crippen Calculated Property | |
| McVol | 425.010 | ml/mol | McGowan Calculated Property |
| Pc | 145.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3391.00; 3391.00] |
|
|
| Inp | 3391.00 | NIST | |
| Inp | 3391.00 | NIST | |
| Tboil | 730.21 | K | Relay (1.0) Calculated Property |
| Tc | 936.23 | K | Relay (1.0) Calculated Property |
| Tfus | 343.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.586 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(5-fluoro-2-trifluoromethylbenzoyl)-, 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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