- InChI
- InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)
- InChI Key
- KJUGUADJHNHALS-UHFFFAOYSA-N
- Formula
- CH2N4
- SMILES
- c1nnn[nH]1
- Molecular Weight1
- 70.05
- CAS
- 288-94-8
- Other Names
-
- 1,2,3,4-tetrazole
- Tetraazacyclopentadiene
- tetrazole
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tfus : Normal melting (fusion) point (K).
- 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 | [-916.42; -915.50] | kJ/mol |
|
| ΔcH°solid | -915.50 ± 0.40 | kJ/mol | NIST |
| ΔcH°solid | -916.30 | kJ/mol | NIST |
| ΔcH°solid | -916.42 ± 0.88 | kJ/mol | NIST |
| ΔfH°gas | [320.00; 321.10] | kJ/mol |
|
| ΔfH°gas | 320.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°gas | 321.10 | kJ/mol | NIST |
| ΔfH°solid | [236.00; 237.10] | kJ/mol |
|
| ΔfH°solid | 236.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°solid | 237.10 | kJ/mol | NIST |
| ΔsubH° | [84.00; 97.50] | kJ/mol |
|
| ΔsubH° | 85.00 ± 3.00 | kJ/mol | NIST |
| ΔsubH° | 84.00 | kJ/mol | NIST |
| ΔsubH° | 97.50 | kJ/mol | NIST |
| IE | [10.95; 11.30] | eV |
|
| IE | 10.95 | eV | NIST |
| IE | 11.30 | eV | NIST |
| IE | 11.00 | eV | NIST |
| IE | 11.30 | eV | NIST |
| log10WS | 0.01 | Crippen Calculated Property | |
| logPoct/wat | -1.282 | Crippen Calculated Property | |
| McVol | 45.410 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | 96.36 | J/mol×K | NIST |
| Tfus | 430.70 ± 0.40 | K | NIST |
| Ttriple | [429.00; 430.00] | K |
|
| Ttriple | 430.00 ± 1.00 | K | NIST |
| Ttriple | 429.00 ± 1.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 76.52 | J/mol×K | 298.15 | NIST |
| ΔfusH | [17.70; 18.40] | kJ/mol | [430.70; 432.10] |
|
| ΔfusH | 18.40 | kJ/mol | 430.70 | NIST |
| ΔfusH | 17.70 | kJ/mol | 432.10 | NIST |
| ΔsubH | [87.80; 97.50] | kJ/mol | [333.00; 369.00] |
|
| ΔsubH | 97.32 | kJ/mol | 333.00 | NIST |
| ΔsubH | 97.50 ± 4.20 | kJ/mol | 348.00 | NIST |
| ΔsubH | 88.16 | kJ/mol | 353.00 | NIST |
| ΔsubH | 88.00 ± 1.60 | kJ/mol | 368.50 | NIST |
| ΔsubH | 87.80 ± 1.40 | kJ/mol | 369.00 | NIST |
Similar Compounds
Find more compounds similar to 1H-Tetrazole.
Mixtures
- Tetra-N-butylammonium chloride + 1H-Tetrazole
- 1H-Tetrazole + Tetrabutylphosphonium bromide
- Tetra-N-butylammonium bromide + 1H-Tetrazole
- Choline chloride + 1H-Tetrazole
- Nitric oxide + 1H-Tetrazole + Tetrabutylphosphonium bromide
- Tetra-N-butylammonium chloride + Nitric oxide + 1H-Tetrazole
- Nitric oxide + Tetra-N-butylammonium bromide + 1H-Tetrazole
- Choline chloride + Nitric oxide + 1H-Tetrazole
Sources
- Crippen Method
- Crippen Method
- Efficient and Reversible Nitric Oxide Absorption by Low-Viscosity, Azole-Derived Deep Eutectic Solvents
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.