- InChI
- InChI=1S/C12H5N5O8/c18-14(19)5-1-7-11(9(3-5)16(22)23)12-8(13-7)2-6(15(20)21)4-10(12)17(24)25/h1-4,13H
- InChI Key
- VSMSIASZXNTHEN-UHFFFAOYSA-N
- Formula
- C12H5N5O8
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c2c(c1)[nH]c1cc([N+](=O)[O-])c c([N+](=O)[O-])c12 - Molecular Weight1
- 347.20
- CAS
- 28453-24-9
- 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).
- 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 | 1.0229 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5455.50 ± 5.40 | kJ/mol | NIST |
| ΔfG° | 410.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 225.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 18.80 ± 5.40 | kJ/mol | NIST |
| ΔvapH° | 131.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.472 | Crippen Calculated Property | |
| McVol | 201.220 | ml/mol | McGowan Calculated Property |
| Pc | 2816.56 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 674.87 | K | Relay (1.0) Calculated Property |
| Tc | 1157.07 | K | Relay (1.0) Calculated Property |
| Tfus | 557.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5,7-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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