- InChI
- InChI=1S/C23H32F3NO4/c1-3-4-5-6-7-8-9-10-14-31-23(29)18-12-11-13-27(18)22(28)16-15-17(24)20(26)21(30-2)19(16)25/h15,18H,3-14H2,1-2H3
- InChI Key
- JIDWYYMJHZSEBR-UHFFFAOYSA-N
- Formula
- C23H32F3NO4
- SMILES
-
CCCCCCCCCCOC(=O)C1CCCN1C(=O)c1
cc(F)c(F)c(OC)c1F - Molecular Weight1
- 443.50
- 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 | 1.0594 | Relay (... Calculated Property | |
| ΔfG° | -624.99 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1239.04 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 113.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -6.29 | Relay (... Calculated Property | |
| logPoct/wat | 5.401 | Crippen Calculated Property | |
| McVol | 330.480 | ml/mol | McGowan Calculated Property |
| Pc | 818.39 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2907.00; 2907.00] |
|
|
| Inp | 2907.00 | NIST | |
| Inp | 2907.00 | NIST | |
| Tboil | 678.09 | K | Relay (... Calculated Property |
| Tc | 901.86 | K | Relay (... Calculated Property |
| Tfus | 354.88 | K | Relay (... Calculated Property |
| Vc | 1.231 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, 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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