- InChI
- InChI=1S/C12H20N4/c1-9(5-13)15-7-12(4)16(8-11(15)3)10(2)6-14/h9-12H,7-8H2,1-4H3
- InChI Key
- RLWOJDBOCLGZSD-UHFFFAOYSA-N
- Formula
- C12H20N4
- SMILES
- CC(C#N)N1CC(C)N(C(C)C#N)CC1C
- Molecular Weight1
- 220.31
- 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 | 0.4920 | Relay (... Calculated Property | |
| ΔfG° | 374.31 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 139.54 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 82.08 | kJ/mol | Relay (... Calculated Property |
| IE | 8.73 | eV | Relay (... Calculated Property |
| log10WS | -1.53 | Relay (... Calculated Property | |
| logPoct/wat | 1.205 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2114.50 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 536.82 | K | Relay (... Calculated Property |
| Tc | 767.74 | K | Relay (... Calculated Property |
| Tfus | 373.55 | K | Relay (... Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Piperazinediacetonitrile, alpha,alpha',2,5-tetramethyl-,trans-.
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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