- InChI
- InChI=1S/C11H18N4/c1-9(6-12)14-4-5-15(10(2)7-13)11(3)8-14/h9-11H,4-5,8H2,1-3H3
- InChI Key
- ACWGKNMPTHRMGE-UHFFFAOYSA-N
- Formula
- C11H18N4
- SMILES
- CC(C#N)N1CCN(C(C)C#N)C(C)C1
- Molecular Weight1
- 206.29
- CAS
- 92059-12-6
- 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 | 0.4892 | Relay (... Calculated Property | |
| ΔfG° | 374.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 177.09 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.15 | kJ/mol | Relay (... Calculated Property |
| IE | 8.86 | eV | Relay (... Calculated Property |
| log10WS | -0.92 | Relay (... Calculated Property | |
| logPoct/wat | 0.817 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2195.20 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 535.17 | K | Relay (... Calculated Property |
| Tc | 773.16 | K | Relay (... Calculated Property |
| Tfus | 342.88 | K | Relay (... Calculated Property |
| Vc | 0.626 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Piperazinediacetonitrile, alpha,alpha',2-trimethyl-.
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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