- InChI
- InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
- InChI Key
- LSIKFJXEYJIZNB-UHFFFAOYSA-N
- Formula
- C14H9NO2
- SMILES
-
O=[N+]([O-])c1c2ccccc2cc2ccccc
12 - Molecular Weight1
- 223.23
- CAS
- 602-60-8
- Other Names
-
- 5-Nitroanthracene
- 9-nitroanthracene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Psub : Sublimation 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 |
|---|---|---|---|
| EA | [1.43; 1.77] | eV |
|
| EA | 1.43 ± 0.10 | eV | NIST |
| EA | 1.77 ± 0.05 | eV | NIST |
| ΔfG° | 409.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 252.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.68 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 115.40 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 70.23 | kJ/mol | Joback Calculated Property |
| IE | [7.86; 7.88] | eV |
|
| IE | 7.86 ± 0.01 | eV | NIST |
| IE | 7.88 ± 0.03 | eV | NIST |
| log10WS | -5.73 | Crippen Calculated Property | |
| logPoct/wat | 3.901 | Crippen Calculated Property | |
| McVol | 162.860 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Inp | [356.50; 2046.00] |
|
|
| Inp | Outlier 2046.00 | NIST | |
| Inp | 356.50 | NIST | |
| Inp | 357.42 | NIST | |
| Inp | 356.95 | NIST | |
| Inp | 357.11 | NIST | |
| Inp | 356.59 | NIST | |
| Inp | 356.62 | NIST | |
| Inp | 356.69 | NIST | |
| Inp | 357.42 | NIST | |
| Inp | 357.42 | NIST | |
| Inp | 365.70 | NIST | |
| Inp | Outlier 2046.00 | NIST | |
| Inp | 356.50 | NIST | |
| Inp | 356.62 | NIST | |
| Tboil | 746.16 | K | Joback Calculated Property |
| Tc | 1021.21 | K | Joback Calculated Property |
| Tfus | 508.01 | K | Joback Calculated Property |
| Vc | 0.637 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.33; 485.75] | J/mol×K | [746.16; 1021.21] |
|
| Cp,gas | 424.33 | J/mol×K | 746.16 | Joback Calculated Property |
| Cp,gas | 436.51 | J/mol×K | 792.00 | Joback Calculated Property |
| Cp,gas | 447.68 | J/mol×K | 837.84 | Joback Calculated Property |
| Cp,gas | 458.00 | J/mol×K | 883.68 | Joback Calculated Property |
| Cp,gas | 467.67 | J/mol×K | 929.53 | Joback Calculated Property |
| Cp,gas | 476.86 | J/mol×K | 975.37 | Joback Calculated Property |
| Cp,gas | 485.75 | J/mol×K | 1021.21 | Joback Calculated Property |
| ΔfusH | 20.10 | kJ/mol | 420.40 | NIST |
| ΔsubH | 111.90 ± 0.60 | kJ/mol | 369.00 | NIST |
| Psub | [1.90e-04; 9.28e-04] | kPa | [361.11; 377.06] |
|
| Psub | 1.96e-04 | kPa | 361.11 | Thermoc... |
| Psub | 1.95e-04 | kPa | 361.11 | Thermoc... |
| Psub | 1.90e-04 | kPa | 361.11 | Thermoc... |
| Psub | 2.36e-04 | kPa | 363.08 | Thermoc... |
| Psub | 2.36e-04 | kPa | 363.08 | Thermoc... |
| Psub | 2.38e-04 | kPa | 363.08 | Thermoc... |
| Psub | 2.94e-04 | kPa | 365.26 | Thermoc... |
| Psub | 2.91e-04 | kPa | 365.26 | Thermoc... |
| Psub | 2.91e-04 | kPa | 365.26 | Thermoc... |
| Psub | 3.42e-04 | kPa | 367.09 | Thermoc... |
| Psub | 3.54e-04 | kPa | 367.09 | Thermoc... |
| Psub | 3.39e-04 | kPa | 367.09 | Thermoc... |
| Psub | 4.31e-04 | kPa | 369.04 | Thermoc... |
| Psub | 4.27e-04 | kPa | 369.04 | Thermoc... |
| Psub | 4.39e-04 | kPa | 369.04 | Thermoc... |
| Psub | 5.32e-04 | kPa | 371.26 | Thermoc... |
| Psub | 5.26e-04 | kPa | 371.26 | Thermoc... |
| Psub | 5.34e-04 | kPa | 371.26 | Thermoc... |
| Psub | 6.40e-04 | kPa | 373.26 | Thermoc... |
| Psub | 6.43e-04 | kPa | 373.26 | Thermoc... |
| Psub | 6.47e-04 | kPa | 373.26 | Thermoc... |
| Psub | 7.72e-04 | kPa | 375.00 | Thermoc... |
| Psub | 7.73e-04 | kPa | 375.00 | Thermoc... |
| Psub | 7.61e-04 | kPa | 375.00 | Thermoc... |
| Psub | 9.28e-04 | kPa | 377.06 | Thermoc... |
| Psub | 9.28e-04 | kPa | 377.06 | Thermoc... |
| Psub | 9.24e-04 | kPa | 377.06 | Thermoc... |
Similar Compounds
Find more compounds similar to Anthracene, 9-nitro-.
Sources
- Crippen Method
- Crippen Method
- Thermochemistry of nitronaphthalenes and nitroanthracenes
- Joback Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.