- InChI
- InChI=1S/C26H38F3NO3/c1-2-3-4-5-6-7-8-9-10-13-20-33-25(32)21-16-18-30(19-17-21)24(31)22-14-11-12-15-23(22)26(27,28)29/h11-12,14-15,21H,2-10,13,16-20H2,1H3
- InChI Key
- KYAQKXSWEWDNAJ-UHFFFAOYSA-N
- Formula
- C26H38F3NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCN(C(=O)c
2ccccc2C(F)(F)F)CC1 - Molecular Weight1
- 469.58
- 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 | 1.0779 | Relay (1.0) Calculated Property | |
| ΔfG° | -561.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1316.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.022 | Crippen Calculated Property | |
| McVol | 366.880 | ml/mol | McGowan Calculated Property |
| Pc | 441.31 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3213.00 | NIST | |
| Tboil | 710.33 | K | Relay (1.0) Calculated Property |
| Tc | 919.96 | K | Relay (1.0) Calculated Property |
| Tfus | 342.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.357 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, dodecyl 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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