- InChI
- InChI=1S/C21H21N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15H,16-18H2
- InChI Key
- VASMRQAVWVVDPA-UHFFFAOYSA-N
- Formula
- C21H21N3
- SMILES
-
c1ccc(N2CN(c3ccccc3)CN(c3ccccc
3)C2)cc1 - Molecular Weight1
- 315.41
- CAS
- 91-78-1
- Other Names
-
- s-Triazine, hexahydro-1,3,5-triphenyl-
- Anhydroformaldehyde aniline
- 1,3,5-Triphenylhexahydro-s-triazine
- 1,3,5-Triphenylhexahydro-1,3,5-triazine
- Hexahydro-1,3,5-triphenyl-1,3,5-triazine
- Methyleneaniline trimer
- 1,3,5-Triphenylhexahydrotriazine
- Hexahydro-1,3,5-triphenyl-S-triazine
- 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 | 0.6017 | Relay (1.0) Calculated Property | |
| ΔfG° | 600.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 513.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.392 | Crippen Calculated Property | |
| McVol | 254.550 | ml/mol | McGowan Calculated Property |
| Pc | 2339.59 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 710.21 | K | Relay (1.0) Calculated Property |
| Tc | 1026.62 | K | Relay (1.0) Calculated Property |
| Tfus | 399.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.917 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Triazine, hexahydro-1,3,5-triphenyl-.
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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