- InChI
- InChI=1S/C23H31F4NO3/c1-2-3-4-5-6-7-8-9-15-31-22(30)20-11-10-14-28(20)21(29)17-12-13-18(19(24)16-17)23(25,26)27/h12-13,16,20H,2-11,14-15H2,1H3
- InChI Key
- OTOPFAJRPJOMQM-UHFFFAOYSA-N
- Formula
- C23H31F4NO3
- SMILES
-
CCCCCCCCCCOC(=O)C1CCCN1C(=O)c1
ccc(C(F)(F)F)c(F)c1 - Molecular Weight1
- 445.49
- 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 | 0.9998 | Relay (1.0) Calculated Property | |
| ΔfG° | -772.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1474.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.133 | Crippen Calculated Property | |
| McVol | 326.380 | ml/mol | McGowan Calculated Property |
| Pc | 749.09 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2718.00; 2718.00] |
|
|
| Inp | 2718.00 | NIST | |
| Inp | 2718.00 | NIST | |
| Tboil | 682.63 | K | Relay (1.0) Calculated Property |
| Tc | 876.46 | K | Relay (1.0) Calculated Property |
| Tfus | 334.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.212 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-fluoro-4-trifluoromethylbenzoyl)-, 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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