- InChI
- InChI=1S/C10H16Cl2N6O4/c11-1-3-17(13-21)9(19)15-5-7-16(8-6-15)10(20)18(14-22)4-2-12/h1-8H2
- InChI Key
- CFKCAGGJBVJIHJ-UHFFFAOYSA-N
- Formula
- C10H16Cl2N6O4
- SMILES
-
O=NN(CCCl)C(=O)N1CCN(C(=O)N(CC
Cl)N=O)CC1 - Molecular Weight1
- 355.18
- CAS
- 13907-80-7
- 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 | 1.0474 | Relay (1.0) Calculated Property | |
| ΔfG° | 231.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -207.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.288 | Crippen Calculated Property | |
| McVol | 231.540 | ml/mol | McGowan Calculated Property |
| Pc | 2086.77 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 625.33 | K | Relay (1.0) Calculated Property |
| Tc | 918.52 | K | Relay (1.0) Calculated Property |
| Tfus | 386.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.850 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Piperazinedicarboxamide, n,n'-bis-(2-chloroethyl)-n,n'-dinitroso-.
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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