- InChI
- InChI=1S/C9H8FNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3/b7-6+
- InChI Key
- VOAXWARMFBBINZ-VOTSOKGWSA-N
- Formula
- C9H8FNO2
- SMILES
- CC(=Cc1ccc(F)cc1)[N+](=O)[O-]
- Molecular Weight1
- 181.16
- CAS
- 775-31-5
- Other Names
-
- Benzene, 1-fluoro-4-(2-nitropropenyl)-
- p-Fluoro-«beta»-nitropropenylbenzene
- 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 | 0.4375 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -128.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.463 | Crippen Calculated Property | |
| McVol | 128.800 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Tboil | 526.30 | K | Relay (1.0) Calculated Property |
| Tc | 760.93 | K | Relay (1.0) Calculated Property |
| Tfus | 345.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.34; 357.42] | J/mol×K | [592.13; 834.59] | 
|
| Cp,gas | 298.34 | J/mol×K | 592.13 | Joback Calculated Property |
| Cp,gas | 310.30 | J/mol×K | 632.54 | Joback Calculated Property |
| Cp,gas | 321.32 | J/mol×K | 672.95 | Joback Calculated Property |
| Cp,gas | 331.48 | J/mol×K | 713.36 | Joback Calculated Property |
| Cp,gas | 340.84 | J/mol×K | 753.77 | Joback Calculated Property |
| Cp,gas | 349.46 | J/mol×K | 794.18 | Joback Calculated Property |
| Cp,gas | 357.42 | J/mol×K | 834.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-4-(2-nitro-1-propenyl)-.
Sources
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