- InChI
- InChI=1S/C10H10F3NO2/c11-10(12,13)9(15)16-7-3-5-8-4-1-2-6-14-8/h1-2,4,6H,3,5,7H2
- InChI Key
- JMZGCPMOUHRDMC-UHFFFAOYSA-N
- Formula
- C10H10F3NO2
- SMILES
- O=C(OCCCc1ccccn1)C(F)(F)F
- Molecular Weight1
- 233.19
- Other Names
-
- 3-Pyridinepropanol, trifluoroacetate (ester)
- Pyridine, 3-(3-trifluoroacetoxypropyl)-
- 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 | 0.5286 | Relay (1.0) Calculated Property | |
| ΔfG° | -658.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -878.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.120 | Crippen Calculated Property | |
| McVol | 150.730 | ml/mol | McGowan Calculated Property |
| Pc | 2361.68 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1230.00; 1230.00] |
|
|
| Inp | 1230.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Tboil | 489.07 | K | Relay (1.0) Calculated Property |
| Tc | 668.98 | K | Relay (1.0) Calculated Property |
| Tfus | 268.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![2-[3-(4-Methylphenoxy)propyl]pyridine.](data:image/png;base64,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)
Find more compounds similar to 3-(2-Pyridyl)propyl trifluoroacetate.
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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