- InChI
- InChI=1S/C22H32ClNO3/c1-2-3-4-5-6-7-10-17-27-22(26)18-13-15-24(16-14-18)21(25)19-11-8-9-12-20(19)23/h8-9,11-12,18H,2-7,10,13-17H2,1H3
- InChI Key
- DSIOWQNMOSTISL-UHFFFAOYSA-N
- Formula
- C22H32ClNO3
- SMILES
-
CCCCCCCCCOC(=O)C1CCN(C(=O)c2cc
ccc2Cl)CC1 - Molecular Weight1
- 393.95
- 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 | 0.9471 | Relay (... Calculated Property | |
| ΔfG° | -68.88 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -651.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 111.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.85 | eV | Relay (... Calculated Property |
| log10WS | -5.76 | Relay (... Calculated Property | |
| logPoct/wat | 5.486 | Crippen Calculated Property | |
| McVol | 317.450 | ml/mol | McGowan Calculated Property |
| Pc | 1018.67 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3148.00; 3148.00] |
|
|
| Inp | 3148.00 | NIST | |
| Inp | 3148.00 | NIST | |
| Tboil | 690.27 | K | Relay (... Calculated Property |
| Tc | 932.41 | K | Relay (... Calculated Property |
| Tfus | 335.04 | K | Relay (... Calculated Property |
| Vc | 1.156 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isonipecotic acid, N-(2-chlorobenzoyl)-, nonyl 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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