- InChI
- InChI=1S/C17H21F2NO3/c1-3-4-10-23-17(22)13-6-5-9-20(13)16(21)14-12(18)8-7-11(2)15(14)19/h7-8,13H,3-6,9-10H2,1-2H3
- InChI Key
- VVNARKIYXIZLBA-UHFFFAOYSA-N
- Formula
- C17H21F2NO3
- SMILES
-
CCCCOC(=O)C1CCCN1C(=O)c1c(F)cc
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 | 0.7545 | Relay (1.0) Calculated Property | |
| ΔfG° | -438.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -877.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.221 | Crippen Calculated Property | |
| McVol | 238.300 | ml/mol | McGowan Calculated Property |
| Pc | 1553.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2287.00; 2287.00] |
|
|
| Inp | 2287.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Tboil | 631.55 | K | Relay (1.0) Calculated Property |
| Tc | 856.41 | K | Relay (1.0) Calculated Property |
| Tfus | 322.74 | 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)-, butyl 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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