- InChI
- InChI=1S/C16H10N2O2/c17-13-7-3-9-2-6-12-14(18(19)20)8-4-10-1-5-11(13)15(9)16(10)12/h1-8H,17H2
- InChI Key
- LEMZVQDZDPOLAQ-UHFFFAOYSA-N
- Formula
- C16H10N2O2
- SMILES
-
Nc1ccc2ccc3c([N+](=O)[O-])ccc4
ccc1c2c43 - Molecular Weight1
- 262.26
- 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° | 573.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 367.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.65 | kJ/mol | Joback Calculated Property |
| log10WS | -6.58 | Crippen Calculated Property | |
| logPoct/wat | 4.074 | Crippen Calculated Property | |
| McVol | 185.860 | ml/mol | McGowan Calculated Property |
| Pc | 3210.04 | kPa | Joback Calculated Property |
| Inp | [3229.00; 3229.00] |
|
|
| Inp | 3229.00 | NIST | |
| Inp | 3229.00 | NIST | |
| Tboil | 885.69 | K | Joback Calculated Property |
| Tc | 1162.60 | K | Joback Calculated Property |
| Tfus | 677.83 | K | Joback Calculated Property |
| Vc | 0.731 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.08; 594.49] | J/mol×K | [885.69; 1162.60] |
|
| Cp,gas | 524.08 | J/mol×K | 885.69 | Joback Calculated Property |
| Cp,gas | 535.30 | J/mol×K | 931.84 | Joback Calculated Property |
| Cp,gas | 546.38 | J/mol×K | 977.99 | Joback Calculated Property |
| Cp,gas | 557.58 | J/mol×K | 1024.15 | Joback Calculated Property |
| Cp,gas | 569.17 | J/mol×K | 1070.30 | Joback Calculated Property |
| Cp,gas | 581.38 | J/mol×K | 1116.45 | Joback Calculated Property |
| Cp,gas | 594.49 | J/mol×K | 1162.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Amino-6-nitropyrene.
Sources
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