- InChI
- InChI=1S/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3
- InChI Key
- LLROQAGEAVDYFP-UHFFFAOYSA-N
- Formula
- C8H11N3
- SMILES
- CN(C)N=Nc1ccccc1
- Molecular Weight1
- 149.19
- CAS
- 7227-91-0
- Other Names
-
- Triazene, 3,3-dimethyl-1-phenyl-
- PDMT
- 1-Phenyl-3,3-dimethyltriazene
- 3,3-Dimethyl-1-phenyltriazene
- PDT
- X 119
- 1-Fenyl-3,3-dimethyltriazin
- NSC 3094
- 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 | 0.5389 | Relay (1.0) Calculated Property | |
| ΔfG° | 379.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 319.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 55.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.247 | Crippen Calculated Property | |
| McVol | 125.460 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Tboil | 530.05 | K | Relay (1.0) Calculated Property |
| Tc | 719.38 | K | Relay (1.0) Calculated Property |
| Tfus | 303.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 399.20 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Triazene, 3,3-dimethyl-1-phenyl-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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