- InChI
- InChI=1S/C21H29F2NO3/c1-3-4-5-6-7-8-14-27-21(26)17-10-9-13-24(17)20(25)18-16(22)12-11-15(2)19(18)23/h11-12,17H,3-10,13-14H2,1-2H3
- InChI Key
- LTNYQRZJHYGMHK-UHFFFAOYSA-N
- Formula
- C21H29F2NO3
- SMILES
-
CCCCCCCCOC(=O)C1CCCN1C(=O)c1c(
F)ccc(C)c1F - Molecular Weight1
- 381.46
- 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 | 0.9178 | Relay (1.0) Calculated Property | |
| ΔfG° | -392.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -960.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.782 | Crippen Calculated Property | |
| McVol | 294.660 | ml/mol | McGowan Calculated Property |
| Pc | 1119.14 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2690.00; 2690.00] |
|
|
| Inp | 2690.00 | NIST | |
| Inp | 2690.00 | NIST | |
| Tboil | 661.79 | K | Relay (1.0) Calculated Property |
| Tc | 891.52 | K | Relay (1.0) Calculated Property |
| Tfus | 332.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.090 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,6-difluoro-3-methylbenzoyl)-, octyl 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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