- InChI
- InChI=1S/C7H5N3O2/c8-10-9-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
- InChI Key
- PQXPAFTXDVNANI-UHFFFAOYSA-N
- Formula
- C7H5N3O2
- SMILES
- [N-]=[N+]=Nc1ccc(C(=O)O)cc1
- Molecular Weight1
- 163.13
- CAS
- 6427-66-3
- Other Names
-
- p-Azidobenzoic acid
- Benzoic acid, 4-azido-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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 | 0.7036 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 50.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.327 | Crippen Calculated Property | |
| McVol | 114.510 | ml/mol | McGowan Calculated Property |
| Pc | 4337.70 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 530.00 | K | Relay (1.0) Calculated Property |
| Tc | 765.46 | K | Relay (1.0) Calculated Property |
| Tfus | 453.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.386 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Azidobenzoic acid.
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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