- InChI
- InChI=1S/C4H6N4/c1-3-5-7-4(2)8-6-3/h1-2H3
- InChI Key
- DGLYTMLIGRQDPE-UHFFFAOYSA-N
- Formula
- C4H6N4
- SMILES
- Cc1nnc(C)nn1
- Molecular Weight1
- 110.12
- CAS
- 1558-23-2
- Other Names
-
- s-Tetrazine, 3,6-dimethyl-
- Dimethyl-s-tetrazine
- 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 | 0.4104 | Relay (... Calculated Property | |
| ΔfG° | 305.91 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 296.78 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.88 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | NIST |
| log10WS | 0.09 | Relay (... Calculated Property | |
| logPoct/wat | -0.117 | Crippen Calculated Property | |
| McVol | 83.380 | ml/mol | McGowan Calculated Property |
| Pc | 5657.40 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 489.54 | K | Relay (... Calculated Property |
| Tc | 660.25 | K | Relay (... Calculated Property |
| Tfus | 387.76 | K | Relay (... Calculated Property |
| Vc | 0.329 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,5-Tetrazine, 3,6-dimethyl-.
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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