- InChI
- InChI=1S/C7H7N3/c1-6-2-4-7(5-3-6)9-10-8/h2-5H,1H3
- InChI Key
- YVXDRCDGBCOJHX-UHFFFAOYSA-N
- Formula
- C7H7N3
- SMILES
- Cc1ccc(N=[N+]=[N-])cc1
- Molecular Weight1
- 133.15
- CAS
- 2101-86-2
- Other Names
-
- Toluene, p-azido-
- p-Azidotoluene
- p-Tolyl azide
- 1-Azido-4-methylbenzene
- 4-Methylphenyl azide
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4095 | Relay (1.0) Calculated Property | |
| ΔfG° | 367.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 364.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 45.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.937 | Crippen Calculated Property | |
| McVol | 107.070 | ml/mol | McGowan Calculated Property |
| Pc | 3986.42 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 451.57 | K | Relay (1.0) Calculated Property |
| Tc | 662.54 | K | Relay (1.0) Calculated Property |
| Tfus | 246.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.00 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-azido-4-methyl-.
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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