- InChI
- InChI=1S/C26H35F6NO3/c1-2-3-4-5-6-7-8-9-10-17-36-24(35)19-13-15-33(16-14-19)23(34)21-18-20(25(27,28)29)11-12-22(21)26(30,31)32/h11-12,18-19H,2-10,13-17H2,1H3
- InChI Key
- AELXHBLKHCHVSF-UHFFFAOYSA-N
- Formula
- C26H35F6NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCN(C(=O)c2
cc(C(F)(F)F)ccc2C(F)(F)F)CC1 - Molecular Weight1
- 523.55
- 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 | 1.1022 | Relay (... Calculated Property | |
| ΔfG° | -1061.98 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1934.30 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 115.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.19 | eV | Relay (... Calculated Property |
| log10WS | -7.68 | Relay (... Calculated Property | |
| logPoct/wat | 7.650 | Crippen Calculated Property | |
| McVol | 372.190 | ml/mol | McGowan Calculated Property |
| Pc | 255.00 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2852.00; 2852.00] |
|
|
| Inp | 2852.00 | NIST | |
| Inp | 2852.00 | NIST | |
| Tboil | 706.01 | K | Relay (... Calculated Property |
| Tc | 923.31 | K | Relay (... Calculated Property |
| Tfus | 378.96 | K | Relay (... Calculated Property |
| Vc | 1.394 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, undecyl 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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