- InChI
- InChI=1S/C12H5N5O8/c18-14(19)5-1-7-8-2-6(15(20)21)4-10(17(24)25)12(8)13-11(7)9(3-5)16(22)23/h1-4,13H
- InChI Key
- JUSWGNJYSBSOFM-UHFFFAOYSA-N
- Formula
- C12H5N5O8
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c2[nH]c3c([N+](=O)[O-])cc([N+] (=O)[O-])cc3c2c1 - Molecular Weight1
- 347.20
- CAS
- 4543-33-3
- Other Names
-
- 9H-Carbazole, 1,3,6,8-tetranitro-
- Carbazole, 1,3,6,8-tetranitro-
- Nirosan
- TNC
- 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 | 1.0211 | Relay (1.0) Calculated Property | |
| ΔfG° | 419.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 203.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.472 | Crippen Calculated Property | |
| McVol | 201.220 | ml/mol | McGowan Calculated Property |
| Pc | 2752.12 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 688.33 | K | Relay (1.0) Calculated Property |
| Tc | 1153.35 | K | Relay (1.0) Calculated Property |
| Tfus | 579.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,6,8-Tetranitrocarbazole.
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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