- InChI
- InChI=1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
- InChI Key
- GUXACCKTQWVTLG-UHFFFAOYSA-N
- Formula
- C16H8N2O4
- SMILES
-
O=[N+]([O-])c1ccc2ccc3c([N+](=
O)[O-])ccc4ccc1c2c43 - Molecular Weight1
- 292.25
- CAS
- 42397-64-8
- Other Names
-
- Pyrene, 1,6-dinitro-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 543.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 323.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.60 | kJ/mol | Joback Calculated Property |
| log10WS | -7.60 | Crippen Calculated Property | |
| logPoct/wat | 4.400 | Crippen Calculated Property | |
| McVol | 193.300 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | 478.51 | NIST | |
| Tboil | 965.00 | K | Joback Calculated Property |
| Tc | 1252.37 | K | Joback Calculated Property |
| Tfus | 738.18 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback 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 1,6-Dinitropyrene.
Sources
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