- InChI
- InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
- InChI Key
- ORCGMGUNVGVHDN-UHFFFAOYSA-N
- Formula
- C7H4FNO3
- SMILES
- O=Cc1ccc(F)cc1[N+](=O)[O-]
- Molecular Weight1
- 169.11
- CAS
- 2923-96-8
- 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).
- 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 | 0.5267 | Relay (1.0) Calculated Property | |
| ΔfG° | -157.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.546 | Crippen Calculated Property | |
| McVol | 106.490 | ml/mol | McGowan Calculated Property |
| Pc | 4173.09 | kPa | Joback Calculated Property |
| Tboil | 522.91 | K | Relay (1.0) Calculated Property |
| Tc | 795.93 | K | Relay (1.0) Calculated Property |
| Tfus | 329.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.50; 282.05] | J/mol×K | [595.97; 835.95] | 
|
| Cp,gas | 239.50 | J/mol×K | 595.97 | Joback Calculated Property |
| Cp,gas | 248.15 | J/mol×K | 635.97 | Joback Calculated Property |
| Cp,gas | 256.14 | J/mol×K | 675.96 | Joback Calculated Property |
| Cp,gas | 263.50 | J/mol×K | 715.96 | Joback Calculated Property |
| Cp,gas | 270.25 | J/mol×K | 755.95 | Joback Calculated Property |
| Cp,gas | 276.43 | J/mol×K | 795.95 | Joback Calculated Property |
| Cp,gas | 282.05 | J/mol×K | 835.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-2-nitrobenzaldehyde.
Sources
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