- InChI
- InChI=1S/C23H33ClFNO3/c1-2-3-4-5-6-7-8-9-17-29-23(28)18-13-15-26(16-14-18)22(27)19-11-10-12-20(24)21(19)25/h10-12,18H,2-9,13-17H2,1H3
- InChI Key
- ZCSZESJZQYAEIY-UHFFFAOYSA-N
- Formula
- C23H33ClFNO3
- SMILES
-
CCCCCCCCCCOC(=O)C1CCN(C(=O)c2c
ccc(Cl)c2F)CC1 - Molecular Weight1
- 425.96
- 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 | 1.0009 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -840.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.015 | Crippen Calculated Property | |
| McVol | 333.310 | ml/mol | McGowan Calculated Property |
| Pc | 888.59 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3254.00; 3254.00] |
|
|
| Inp | 3254.00 | NIST | |
| Inp | 3254.00 | NIST | |
| Tboil | 695.33 | K | Relay (1.0) Calculated Property |
| Tc | 931.68 | K | Relay (1.0) Calculated Property |
| Tfus | 337.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.218 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isonipecotic acid, N-(2-fluoro-3-chlorobenzoyl)-, 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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