- InChI
- InChI=1S/C3H6N4/c1-3-4-6-7(2)5-3/h1-2H3
- InChI Key
- HVRBCXZGTURXBT-UHFFFAOYSA-N
- Formula
- C3H6N4
- SMILES
- Cc1nnn(C)n1
- Molecular Weight1
- 98.11
- CAS
- 4135-93-7
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2240.50 ± 2.80 | kJ/mol | NIST |
| ΔfH°gas | 251.20 ± 2.90 | kJ/mol | NIST |
| ΔfH°solid | 202.50 ± 2.90 | kJ/mol | NIST |
| ΔsubH° | [48.70; 48.70] | kJ/mol |
|
| ΔsubH° | 48.70 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 48.70 | kJ/mol | NIST |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | -0.481 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan Calculated Property |
| Ttriple | 257.00 ± 1.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 13.50 | kJ/mol | 256.40 | NIST |
Similar Compounds
Find more compounds similar to 2H-Tetrazole, 2,5-dimethyl-.
Sources
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