![1H-Pyrrole-2,5-dione, 1-[4-(dimethylamino)-3,5-dinitrophenyl]-](/cid/94-123-1/1H-Pyrrole-2-5-dione-1-4-dimethylamino-3-5-dinitrophenyl.png "1H-Pyrrole-2,5-dione, 1-[4-(dimethylamino)-3,5-dinitrophenyl]-")
- InChI
- InChI=1S/C12H10N4O6/c1-13(2)12-8(15(19)20)5-7(6-9(12)16(21)22)14-10(17)3-4-11(14)18/h3-6H,1-2H3
- InChI Key
- QPYAUURPGVXHFK-UHFFFAOYSA-N
- Formula
- C12H10N4O6
- SMILES
-
CN(C)c1c([N+](=O)[O-])cc(N2C(=
O)C=CC2=O)cc1[N+](=O)[O-] - Molecular Weight1
- 306.23
- CAS
- 3475-74-9
- Other Names
-
- Maleimide, N-[4-(dimethylamino)-3,5-dinitrophenyl]-
- N-(4-Dimethylamino-3,5-dinitrophenyl)maleimide
- 1-[4-(dimethylamino)-3,5-dinitrophenyl]-1H-pyrrole-2,5-dione
- 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 | 0.8974 | Relay (1.0) Calculated Property | |
| ΔfG° | 188.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -87.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.998 | Crippen Calculated Property | |
| McVol | 198.960 | ml/mol | McGowan Calculated Property |
| Pc | 2298.09 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 608.31 | K | Relay (1.0) Calculated Property |
| Tc | 996.21 | K | Relay (1.0) Calculated Property |
| Tfus | 475.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole-2,5-dione, 1-[4-(dimethylamino)-3,5-dinitrophenyl]-.
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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