- InChI
- InChI=1S/C8H8N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h2-6H,1H3
- InChI Key
- UIEGWLAONRMBOG-UHFFFAOYSA-N
- Formula
- C8H8N4
- SMILES
- Cn1nnnc1-c1ccccc1
- Molecular Weight1
- 160.18
- CAS
- 20743-50-4
- Other Names
-
- Tetrazole, 1-methyl-5-phenyl-
- 1H-Tetrazole, 1-methyl-5-phenyl-
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4771 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4583.70 ± 1.30 | kJ/mol | NIST |
| ΔfG° | 464.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 436.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 292.20 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 91.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.877 | Crippen Calculated Property | |
| McVol | 120.280 | ml/mol | McGowan Calculated Property |
| Pc | 5234.57 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 580.18 | K | Relay (1.0) Calculated Property |
| Tc | 809.59 | K | Relay (1.0) Calculated Property |
| Tfus | 351.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-5-phenyltetrazole.
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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