- InChI
- InChI=1S/C3N12/c4-13-10-1-7-2(11-14-5)9-3(8-1)12-15-6
- InChI Key
- JKYMSKUDZIJFKI-UHFFFAOYSA-N
- Formula
- C3N12
- SMILES
-
[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc
(N=[N+]=[N-])n1 - Molecular Weight1
- 204.11
- CAS
- 5637-83-2
- 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 | 0.6217 | Relay (1.0) Calculated Property | |
| ΔfG° | 801.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 1008.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.697 | Crippen Calculated Property | |
| McVol | 123.330 | ml/mol | McGowan Calculated Property |
| Pc | 4358.79 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 436.21 | K | Relay (1.0) Calculated Property |
| Tc | 735.42 | K | Relay (1.0) Calculated Property |
| Tfus | 447.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to S-triazine, 2,4,6-triazido-.
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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