- InChI
- InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3
- InChI Key
- OMAFFHIGWTVZOH-UHFFFAOYSA-N
- Formula
- C2H4N4
- SMILES
- Cn1cnnn1
- Molecular Weight1
- 84.08
- CAS
- 16681-77-9
- Other Names
-
- N-Methyltetrazole
- 1-Methyl-1H-tetrazole
- 1-Methyltetrazole
- 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 | 0.3931 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1593.40 ± 0.40 | kJ/mol | NIST |
| ΔfG° | 354.64 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 322.90 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | 234.70 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | [88.20; 88.20] | kJ/mol |
|
| ΔsubH° | 88.20 ± 1.90 | kJ/mol | NIST |
| ΔsubH° | 88.20 | kJ/mol | NIST |
| ΔvapH° | 74.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | NIST |
| log10WS | 1.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.790 | Crippen Calculated Property | |
| McVol | 59.500 | ml/mol | McGowan Calculated Property |
| Pc | 6623.20 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 519.72 | K | Relay (1.0) Calculated Property |
| Tc | 663.61 | K | Relay (1.0) Calculated Property |
| Tfus | 354.98 | K | Relay (1.0) Calculated Property |
| Ttriple | [315.00; 316.00] | K |
|
| Ttriple | 315.00 ± 1.00 | K | NIST |
| Ttriple | 316.00 ± 1.00 | K | NIST |
| Vc | 0.250 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [15.70; 15.70] | kJ/mol | [315.00; 315.00] |
|
| ΔfusH | 15.70 | kJ/mol | 315.00 | NIST |
| ΔfusH | 15.70 | kJ/mol | 315.00 | NIST |
| ΔsubH | 86.70 ± 1.90 | kJ/mol | 296.50 | NIST |
Similar Compounds
Find more compounds similar to 1H-Tetrazole, 1-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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