- InChI
- InChI=1S/C16H12F3NO/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)20(13(9)11)15(21)16(17,18)19/h3-8H,1-2H3
- InChI Key
- KUVUOVQLDXATDV-UHFFFAOYSA-N
- Formula
- C16H12F3NO
- SMILES
-
Cc1cccc2c3cccc(C)c3n(C(=O)C(F)
(F)F)c12 - Molecular Weight1
- 291.27
- Other Names
-
- 1,8-Dimethylcarbazole, 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 | 0.6018 | Relay (1.0) Calculated Property | |
| ΔfG° | -380.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -616.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.614 | Crippen Calculated Property | |
| McVol | 194.780 | ml/mol | McGowan Calculated Property |
| Pc | 1695.43 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 639.14 | K | Relay (1.0) Calculated Property |
| Tc | 877.45 | K | Relay (1.0) Calculated Property |
| Tfus | 396.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,8-Dimethylcarbazole, 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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