- InChI
- InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3
- InChI Key
- NBQBICYRKOTWRR-UHFFFAOYSA-N
- Formula
- C8H14N2O2
- SMILES
- CC(=O)N1CCN(C(C)=O)CC1
- Molecular Weight1
- 170.21
- CAS
- 18940-57-3
- Other Names
-
- Benzylpiperazine-M (piperazine), 2AC
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5060 | Relay (... Calculated Property | |
| ΔfG° | -20.27 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -370.12 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.64 | kJ/mol | Relay (... Calculated Property |
| IE | 9.28 | eV | Relay (... Calculated Property |
| log10WS | 0.53 | Relay (... Calculated Property | |
| logPoct/wat | -0.303 | Crippen Calculated Property | |
| McVol | 135.820 | ml/mol | McGowan Calculated Property |
| Pc | 3425.74 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1750.00; 1780.00] |
|
|
| Inp | 1780.00 | NIST | |
| Inp | 1780.00 | NIST | |
| Inp | 1750.00 | NIST | |
| Tboil | 545.77 | K | Relay (... Calculated Property |
| Tc | 755.69 | K | Relay (... Calculated Property |
| Tfus | 424.95 | K | Relay (... Calculated Property |
| Vc | 0.496 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Piperazine, 1,4-diacetyl-.
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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