- InChI
- InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
- InChI Key
- UAWLTQJFZUYROA-UHFFFAOYSA-N
- Formula
- C18H11NO2
- SMILES
-
O=[N+]([O-])c1cc2c3ccccc3ccc2c
2ccccc12 - Molecular Weight1
- 273.29
- CAS
- 7496-02-8
- Other Names
-
- Chrysene, 6-nitro-
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | 539.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 349.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.44 | kJ/mol | Joback Calculated Property |
| log10WS | -7.54 | Crippen Calculated Property | |
| logPoct/wat | 5.054 | Crippen Calculated Property | |
| McVol | 199.760 | ml/mol | McGowan Calculated Property |
| Pc | 2732.56 | kPa | Joback Calculated Property |
| Inp | [460.49; 464.50] |
|
|
| Inp | 460.49 | NIST | |
| Inp | 463.60 | NIST | |
| Inp | 464.50 | NIST | |
| Inp | 460.49 | NIST | |
| Tboil | 861.64 | K | Joback Calculated Property |
| Tc | 1141.16 | K | Joback Calculated Property |
| Tfus | 598.31 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.44; 629.81] | J/mol×K | [861.64; 1141.16] |
|
| Cp,gas | 558.44 | J/mol×K | 861.64 | Joback Calculated Property |
| Cp,gas | 570.99 | J/mol×K | 908.23 | Joback Calculated Property |
| Cp,gas | 582.94 | J/mol×K | 954.81 | Joback Calculated Property |
| Cp,gas | 594.55 | J/mol×K | 1001.40 | Joback Calculated Property |
| Cp,gas | 606.06 | J/mol×K | 1047.99 | Joback Calculated Property |
| Cp,gas | 617.73 | J/mol×K | 1094.58 | Joback Calculated Property |
| Cp,gas | 629.81 | J/mol×K | 1141.16 | Joback Calculated Property |
| ΔfusH | 28.40 | kJ/mol | 486.60 | NIST |
Similar Compounds
Find more compounds similar to 6-Nitrochrysene.
Sources
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