- InChI
- InChI=1S/C12H7N3O4/c16-14(17)7-1-3-11-9(5-7)10-6-8(15(18)19)2-4-12(10)13-11/h1-6,13H
- InChI Key
- IARXLBTXILYASE-UHFFFAOYSA-N
- Formula
- C12H7N3O4
- SMILES
-
O=[N+]([O-])c1ccc2[nH]c3ccc([N
+](=O)[O-])cc3c2c1 - Molecular Weight1
- 257.20
- CAS
- 3244-54-0
- Other Names
-
- 3,6-Dinitrocarbazole
- 3,6-dinitro-9H-carbazole
- Carbazole, 3,6-dinitro-
- 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 | 0.7772 | Relay (1.0) Calculated Property | |
| ΔfG° | 367.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 182.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.656 | Crippen Calculated Property | |
| McVol | 166.380 | ml/mol | McGowan Calculated Property |
| Pc | 3699.35 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 674.91 | K | Relay (1.0) Calculated Property |
| Tc | 1061.02 | K | Relay (1.0) Calculated Property |
| Tfus | 569.65 | K | On the melting temperatures of 3,6-diamino-9H-carbazole and 3,6-dinitro-9H-carbazole |
| Vc | 0.597 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 9H-Carbazole, 3,6-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
- On the melting temperatures of 3,6-diamino-9H-carbazole and 3,6-dinitro-9H-carbazole
- McGowan Method
- NIST Webbook
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