- InChI
- InChI=1S/C6H5N3/c7-9-8-6-4-2-1-3-5-6/h1-5H
- InChI Key
- CTRLRINCMYICJO-UHFFFAOYSA-N
- Formula
- C6H5N3
- SMILES
- [N-]=[N+]=Nc1ccccc1
- Molecular Weight1
- 119.12
- CAS
- 622-37-7
- Other Names
-
- Azidobenzene
- Benzene, triazo-
- Phenyl azide
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.3628 | Relay (1.0) Calculated Property | |
| PAff | 820.00 | kJ/mol | NIST |
| BasG | 787.50 | kJ/mol | NIST |
| ΔcH°liquid | -3420.00 | kJ/mol | NIST |
| ΔfG° | 372.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 399.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 44.80 ± 0.80 | kJ/mol | NIST |
| IE | [8.40; 8.72] | eV |
|
| IE | 8.40 | eV | NIST |
| IE | 8.72 ± 0.02 | eV | NIST |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.628 | Crippen Calculated Property | |
| McVol | 92.980 | ml/mol | McGowan Calculated Property |
| Pc | 4622.71 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 432.65 | K | Relay (1.0) Calculated Property |
| Tc | 649.29 | K | Relay (1.0) Calculated Property |
| Tfus | 222.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.314 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 45.20 | kJ/mol | 358.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, azido-.
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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