- InChI
- InChI=1S/C6F9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15
- InChI Key
- LSGBKABSSSIRJF-UHFFFAOYSA-N
- Formula
- C6F9N3
- SMILES
-
FC(F)(F)c1nc(C(F)(F)F)nc(C(F)(
F)F)n1 - Molecular Weight1
- 285.07
- CAS
- 368-66-1
- Other Names
-
- s-Triazine, 2,4,6-tris(trifluoromethyl)-
- 2,4,6-Tris(trifluoromethyl)-s-triazine
- 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
- TTT
- 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 | 0.4800 | Relay (1.0) Calculated Property | |
| ΔfG° | -1226.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1681.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 53.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.928 | Crippen Calculated Property | |
| McVol | 117.510 | ml/mol | McGowan Calculated Property |
| Pc | 2347.64 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 368.00 | K | NIST |
| Tc | 602.51 | K | Relay (1.0) Calculated Property |
| Tfus | 399.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Triazine, 2,4,6-tris(trifluoromethyl)-.
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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