- InChI
- InChI=1S/C11H8F3NO/c1-7-6-15(10(16)11(12,13)14)9-5-3-2-4-8(7)9/h2-6H,1H3
- InChI Key
- PEJJIQKHDNSFNO-UHFFFAOYSA-N
- Formula
- C11H8F3NO
- SMILES
- Cc1cn(C(=O)C(F)(F)F)c2ccccc12
- Molecular Weight1
- 227.18
- Other Names
-
- 3-Methylindole, TFA
- 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).
- 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 | 0.4835 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -663.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.152 | Crippen Calculated Property | |
| McVol | 143.790 | ml/mol | McGowan Calculated Property |
| Pc | 2439.34 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 543.95 | K | Relay (1.0) Calculated Property |
| Tc | 745.11 | K | Relay (1.0) Calculated Property |
| Tfus | 322.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.530 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylindole, N-trifluoroacetyl-.
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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