- InChI
- InChI=1S/C9H12N6/c10-1-4-13-7-14(5-2-11)9-15(8-13)6-3-12/h4-9H2
- InChI Key
- CTTRIWVSECLRDA-UHFFFAOYSA-N
- Formula
- C9H12N6
- SMILES
- N#CCN1CN(CC#N)CN(CC#N)C1
- Molecular Weight1
- 204.23
- CAS
- 4560-87-6
- Other Names
-
- s-Triazine-1,3,5(2H,4H,6H)triacetonitrile
- s-Triazine, hexahydro-1,3,5-tris(cyanomethyl)-
- 1,3,5-Tris(cyanomethyl)hexahydro-s-triazine
- 1,3,5-Triazine-1,3,5(2H,4H,6H)-triacetonitrile
- (3,5-Bis-cyanomethyl-[1,3,5]triazinan-1-yl)-acetonitrile
- Glycinonitrile, N-methylene-,cyclictrimer
- 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 | 0.6177 | Relay (1.0) Calculated Property | |
| ΔfG° | 526.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 452.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.651 | Crippen Calculated Property | |
| McVol | 160.890 | ml/mol | McGowan Calculated Property |
| Pc | 2504.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 586.50 | K | Relay (1.0) Calculated Property |
| Tc | 797.44 | K | Relay (1.0) Calculated Property |
| Tfus | 388.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.573 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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3,7-dinitroso-.](data:image/png;base64,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)
Find more compounds similar to 1,3,5-Tris(cyanomethyl)-S-hexahydrotriazine.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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