- InChI
- InChI=1S/C14H9NO2/c16-15(17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H
- InChI Key
- SGNWFFATVZVHNF-UHFFFAOYSA-N
- Formula
- C14H9NO2
- SMILES
-
O=[N+]([O-])c1cccc2c1ccc1ccccc
12 - Molecular Weight1
- 223.23
- CAS
- 17024-17-8
- Other Names
-
- 1-nitrophenanthrene
- 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 | 0.6002 | Relay (1.0) Calculated Property | |
| ΔfG° | 409.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 193.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.08 | Relay (1.0) 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 | [353.40; 366.10] |
|
|
| Inp | 366.10 | NIST | |
| Inp | 353.40 | NIST | |
| Tboil | 670.15 | K | Relay (1.0) Calculated Property |
| Tc | 993.41 | K | Relay (1.0) Calculated Property |
| Tfus | 397.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.589 | m3/kmol | Relay (1.0) 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 |
Similar Compounds
Find more compounds similar to 4-Nitrophenanthrene.
Sources
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