- InChI
- InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)
- InChI Key
- MARUHZGHZWCEQU-UHFFFAOYSA-N
- Formula
- C7H6N4
- SMILES
- c1ccc(-c2nnn[nH]2)cc1
- Molecular Weight1
- 146.15
- CAS
- 18039-42-4
- Other Names
-
- MA 1623
- 2H-Tetrazole, 5-phenyl-
- 5-Phenyl tetrazole
- 5-Phenyl-2H-tetrazole
- 5-Phenyl(1H)tetrazole
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | [-3910.00; -3904.60] | kJ/mol |
|
| ΔcH°solid | -3910.00 ± 3.00 | kJ/mol | NIST |
| ΔcH°solid | -3904.60 ± 1.40 | kJ/mol | NIST |
| ΔfH°gas | [407.50; 413.00] | kJ/mol |
|
| ΔfH°gas | 413.00 ± 5.90 | kJ/mol | NIST |
| ΔfH°gas | 407.50 | kJ/mol | NIST |
| ΔfH°solid | [292.50; 298.00] | kJ/mol |
|
| ΔfH°solid | 298.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | 292.50 | kJ/mol | NIST |
| ΔsubH° | [115.00; 115.00] | kJ/mol |
|
| ΔsubH° | 115.00 ± 3.00 | kJ/mol | NIST |
| ΔsubH° | 115.00 | kJ/mol | NIST |
| logPoct/wat | 0.385 | Crippen Calculated Property | |
| McVol | 106.190 | ml/mol | McGowan Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to 1H-Tetrazole, 5-phenyl-.
Sources
- 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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