- InChI
- InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
- InChI Key
- XFOHWECQTFIEIX-UHFFFAOYSA-N
- Formula
- C13H9NO2
- SMILES
-
O=[N+]([O-])c1ccc2c(c1)Cc1cccc
c1-2 - Molecular Weight1
- 211.22
- CAS
- 607-57-8
- Other Names
-
- 2-Nitro-9H-fluorene
- 2-Nitrofluorene
- Fluorene, 2-nitro-
- 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).
- 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).
- 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 | 0.6061 | Relay (1.0) Calculated Property | |
| ΔfG° | 382.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 182.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Aq. Solubility Prediction | |
| logPoct/wat | 3.166 | Crippen Calculated Property | |
| McVol | 153.070 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Inp | [350.98; 2102.00] |
|
|
| Inp | 2102.00 | NIST | |
| Inp | 2087.00 | NIST | |
| Inp | 2066.00 | NIST | |
| Inp | 2102.00 | NIST | |
| Inp | 351.77 | NIST | |
| Inp | 350.98 | NIST | |
| Inp | 353.06 | NIST | |
| Inp | 352.17 | NIST | |
| Inp | 352.12 | NIST | |
| Inp | 352.22 | NIST | |
| Inp | 352.60 | NIST | |
| Inp | 352.42 | NIST | |
| Inp | 353.06 | NIST | |
| Inp | 359.10 | NIST | |
| Inp | 2102.00 | NIST | |
| Tboil | 647.22 | K | Relay (1.0) Calculated Property |
| Tc | 940.55 | K | Relay (1.0) Calculated Property |
| Tfus | [429.65; 429.89] | K |
|
| Tfus | 429.65 | K | Aq. Solubility Prediction |
| Tfus | 429.89 | K | Experimental and computational study of the thermodynamic properties of 2-nitrofluorene and 2-aminofluorene |
| Vc | 0.564 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.59; 457.69] | J/mol×K | [719.85; 990.35] |
|
| Cp,gas | 396.59 | J/mol×K | 719.85 | Joback Calculated Property |
| Cp,gas | 408.63 | J/mol×K | 764.93 | Joback Calculated Property |
| Cp,gas | 419.68 | J/mol×K | 810.02 | Joback Calculated Property |
| Cp,gas | 429.94 | J/mol×K | 855.10 | Joback Calculated Property |
| Cp,gas | 439.57 | J/mol×K | 900.18 | Joback Calculated Property |
| Cp,gas | 448.76 | J/mol×K | 945.26 | Joback Calculated Property |
| Cp,gas | 457.69 | J/mol×K | 990.35 | Joback Calculated Property |
| ΔsubH | 114.20 ± 3.00 | kJ/mol | 366.50 | NIST |
Similar Compounds
Find more compounds similar to 9H-Fluorene, 2-nitro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Experimental and computational study of the thermodynamic properties of 2-nitrofluorene and 2-aminofluorene
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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