- InChI
- InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
- InChI Key
- XZGLNCKSNVGDNX-UHFFFAOYSA-N
- Formula
- C2H4N4
- SMILES
- Cc1nnn[nH]1
- Molecular Weight1
- 84.08
- CAS
- 4076-36-2
- Other Names
-
- 5-Methyltetrazole
- 2H-Tetrazole, 5-methyl-
- 5-Methyl-1H-tetrazole
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Ttriple : Triple Point Temperature (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 | 0.3973 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1543.10 ± 2.50 | kJ/mol | NIST |
| ΔfG° | 329.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 280.70 ± 2.60 | kJ/mol | NIST |
| ΔfH°solid | 184.40 ± 2.60 | kJ/mol | NIST |
| ΔsubH° | [96.30; 96.30] | kJ/mol |
|
| ΔsubH° | 96.30 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 96.30 | kJ/mol | NIST |
| ΔvapH° | 82.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.35 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.974 | Crippen Calculated Property | |
| McVol | 59.500 | ml/mol | McGowan Calculated Property |
| Pc | 7104.16 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 549.08 | K | Relay (1.0) Calculated Property |
| Tc | 691.83 | K | Relay (1.0) Calculated Property |
| Tfus | 428.98 | K | Relay (1.0) Calculated Property |
| Ttriple | [418.00; 420.00] | K |
|
| Ttriple | 418.00 ± 1.00 | K | NIST |
| Ttriple | 420.00 ± 1.00 | K | NIST |
| Vc | 0.238 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [16.00; 16.00] | kJ/mol | [418.00; 418.00] |
|
| ΔfusH | 16.00 | kJ/mol | 418.00 | NIST |
| ΔfusH | 16.00 | kJ/mol | 418.00 | NIST |
| ΔsubH | 93.80 ± 0.50 | kJ/mol | 370.50 | NIST |
Similar Compounds
Find more compounds similar to 1H-Tetrazole, 5-methyl-.
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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