- InChI
- InChI=1S/C13H16N4O2/c1-12(2,3)13(4,9-14)16-15-10-5-7-11(8-6-10)17(18)19/h5-8H,1-4H3
- InChI Key
- ADUZTDVESOKFGH-UHFFFAOYSA-N
- Formula
- C13H16N4O2
- SMILES
-
CC(C)(C)C(C)(C#N)N=Nc1ccc([N+]
(=O)[O-])cc1 - Molecular Weight1
- 260.29
- CAS
- 40620-35-7
- Other Names
-
- N-(4-Nitrophenyl)-N'-(1,2,2-trimethyl-1-cyano-propyl)diazene
- 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 | 0.7046 | Relay (1.0) Calculated Property | |
| ΔfG° | 421.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 256.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.007 | Crippen Calculated Property | |
| McVol | 204.730 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Tboil | 584.25 | K | Relay (1.0) Calculated Property |
| Tc | 861.11 | K | Relay (1.0) Calculated Property |
| Tfus | 464.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.703 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![2,3-Dimethyl-2,3-bis[(E)phenylazo]butane.](data:image/png;base64,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)
Find more compounds similar to Butyronitrile, 2,3,3-trimethyl-2-(4-nitrophenyldiazenyl)-.
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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