- InChI
- InChI=1S/C17H21F2NO3/c1-10(2)9-23-17(22)13-5-4-8-20(13)16(21)14-12(18)7-6-11(3)15(14)19/h6-7,10,13H,4-5,8-9H2,1-3H3
- InChI Key
- LJADLFDCNSFJRF-UHFFFAOYSA-N
- Formula
- C17H21F2NO3
- SMILES
-
Cc1ccc(F)c(C(=O)N2CCCC2C(=O)OC
C(C)C)c1F - Molecular Weight1
- 325.35
- 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 | 0.7209 | Relay (1.0) Calculated Property | |
| ΔfG° | -442.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -896.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.077 | Crippen Calculated Property | |
| McVol | 238.300 | ml/mol | McGowan Calculated Property |
| Pc | 1426.23 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2240.00; 2240.00] |
|
|
| Inp | 2240.00 | NIST | |
| Inp | 2240.00 | NIST | |
| Tboil | 632.62 | K | Relay (1.0) Calculated Property |
| Tc | 855.03 | K | Relay (1.0) Calculated Property |
| Tfus | 343.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.874 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,6-difluoro-3-methylbenzoyl)-, isobutyl 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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