- InChI
- InChI=1S/C7H7N5/c1-2-4-6(5-3-1)8-7-9-11-12-10-7/h1-5H,(H2,8,9,10,11,12)
- InChI Key
- JJGVUQXLNNGWPZ-UHFFFAOYSA-N
- Formula
- C7H7N5
- SMILES
- c1ccc(Nc2nnn[nH]2)cc1
- Molecular Weight1
- 161.16
- CAS
- 23579-46-6
- 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 | 0.5641 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4060.00 ± 0.08 | kJ/mol | NIST |
| ΔfG° | 485.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 440.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 305.00 | kJ/mol | NIST |
| ΔvapH° | 112.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.461 | Crippen Calculated Property | |
| McVol | 116.170 | ml/mol | McGowan Calculated Property |
| Pc | 7807.89 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 616.53 | K | Relay (1.0) Calculated Property |
| Tc | 932.27 | K | Relay (1.0) Calculated Property |
| Tfus | 440.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylaminotetrazole.
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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