- InChI
- InChI=1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- UDLLFLQFQMACJB-UHFFFAOYSA-N
- Formula
- C7H7N3
- SMILES
- [N-]=[N+]=NCc1ccccc1
- Molecular Weight1
- 133.15
- CAS
- 622-79-7
- Other Names
-
- (Azidomethyl)benzene
- Benzyl azide
- Toluene, alpha-triazo-
- Toluene, «alpha»-azido-
- «alpha»-Azidotoluene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4123.00 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | 416.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | 368.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | [48.00; 48.10] | kJ/mol |
|
| ΔvapH° | 48.10 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 48.00 | kJ/mol | NIST |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.497 | Crippen Calculated Property | |
| McVol | 107.070 | ml/mol | McGowan Calculated Property |
| Tboil | 460.35 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 48.00 | kJ/mol | 348.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [356.50; 381.00] | K | [2.10; 3.10] |
|
| Tboilr | 356.50 ± 1.50 | K | 2.10 | NIST |
| Tboilr | 381.00 | K | 3.10 | NIST |
Similar Compounds
Find more compounds similar to Benzene, (azidomethyl)-.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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