- InChI
- InChI=1S/C16H8N2O4/c19-17(20)10-7-9-3-1-5-12-15(9)13(8-10)11-4-2-6-14(16(11)12)18(21)22/h1-8H
- InChI Key
- AGIQTABGQSEBNX-UHFFFAOYSA-N
- Formula
- C16H8N2O4
- SMILES
-
O=[N+]([O-])c1cc2c3c(cccc3c1)-
c1c-2cccc1[N+](=O)[O-] - Molecular Weight1
- 292.25
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Inp : Non-polar retention indices.
- 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 | 0.8128 | Relay (1.0) Calculated Property | |
| ΔfG° | 543.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 266.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.304 | Crippen Calculated Property | |
| McVol | 193.300 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | [472.50; 472.50] |
|
|
| Inp | 472.50 | NIST | |
| Inp | 472.50 | NIST | |
| Tboil | 706.19 | K | Relay (1.0) Calculated Property |
| Tc | 1106.71 | K | Relay (1.0) Calculated Property |
| Tfus | 449.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.716 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.72; 631.81] | J/mol×K | [965.00; 1252.37] |
|
| Cp,gas | 553.72 | J/mol×K | 965.00 | Joback Calculated Property |
| Cp,gas | 565.01 | J/mol×K | 1012.90 | Joback Calculated Property |
| Cp,gas | 576.59 | J/mol×K | 1060.79 | Joback Calculated Property |
| Cp,gas | 588.77 | J/mol×K | 1108.69 | Joback Calculated Property |
| Cp,gas | 601.84 | J/mol×K | 1156.58 | Joback Calculated Property |
| Cp,gas | 616.09 | J/mol×K | 1204.48 | Joback Calculated Property |
| Cp,gas | 631.81 | J/mol×K | 1252.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fluoranthene, 2,7-dinitro.
Sources
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