- InChI
- InChI=1S/C4H8N4/c1-3-5-7-4(2)8-6-3/h1-2H3,(H,5,6)(H,7,8)
- InChI Key
- DPHZUYOKHNJDLR-UHFFFAOYSA-N
- Formula
- C4H8N4
- SMILES
- CC1=NN=C(C)NN1
- Molecular Weight1
- 112.13
- CAS
- 37454-64-1
- Other Names
-
- 1,2,4,5-Tetrazine, 3,6-dihydro-3,6-dimethyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 |
|---|---|---|---|
| ΔfG° | 464.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 258.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.08 | kJ/mol | Joback Calculated Property |
| IE | 7.85 | eV | NIST |
| log10WS | -1.07 | Crippen Calculated Property | |
| logPoct/wat | -0.154 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 6200.01 | kPa | Joback Calculated Property |
| Tboil | 527.92 | K | Joback Calculated Property |
| Tc | 787.53 | K | Joback Calculated Property |
| Tfus | 526.16 | K | Joback Calculated Property |
| Vc | 0.338 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.23; 275.50] | J/mol×K | [527.92; 787.53] | 
|
| Cp,gas | 205.23 | J/mol×K | 527.92 | Joback Calculated Property |
| Cp,gas | 218.74 | J/mol×K | 571.19 | Joback Calculated Property |
| Cp,gas | 231.62 | J/mol×K | 614.46 | Joback Calculated Property |
| Cp,gas | 243.82 | J/mol×K | 657.73 | Joback Calculated Property |
| Cp,gas | 255.25 | J/mol×K | 700.99 | Joback Calculated Property |
| Cp,gas | 265.84 | J/mol×K | 744.26 | Joback Calculated Property |
| Cp,gas | 275.50 | J/mol×K | 787.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,5-Tetrazine, 1,4-dihydro-3,6-dimethyl-.
Sources
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