- InChI
- InChI=1S/C4H8N4O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H2
- InChI Key
- GSUMZAMXDRIYCL-UHFFFAOYSA-N
- Formula
- C4H8N4O4
- SMILES
-
O=[N+]([O-])N1CCN([N+](=O)[O-]
)CC1 - Molecular Weight1
- 176.13
- CAS
- 4164-37-8
- Other Names
-
- N,N-Dinitropiperazine
- N,N'-Dinitropiperazine
- 1,4-Dinitropiperazine
- 1,4-Dinitro-1,4-diazacyclohexane
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.5896 | Relay (... Calculated Property | |
| ΔcH°solid | -2664.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 310.11 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 58.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -53.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 111.00 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 76.97 | kJ/mol | Relay (... Calculated Property |
| IE | 10.29 | eV | Relay (... Calculated Property |
| log10WS | -1.37 | Relay (... Calculated Property | |
| logPoct/wat | -1.013 | Crippen Calculated Property | |
| McVol | 111.160 | ml/mol | McGowan Calculated Property |
| Pc | 3769.07 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 539.35 | K | Relay (... Calculated Property |
| Tc | 790.74 | K | Relay (... Calculated Property |
| Tfus | 426.79 | K | Relay (... Calculated Property |
| Vc | 0.404 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [33.93; 200.80] | kJ/mol | [489.20; 489.60] | 
|
| ΔfusH | 200.80 | kJ/mol | 489.20 | NIST |
| ΔfusH | 33.93 | kJ/mol | 489.60 | NIST |
| ΔsubH | 111.00 ± 8.00 | kJ/mol | 342.50 | NIST |
Similar Compounds
Find more compounds similar to Piperazine, 1,4-dinitro-.
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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