- InChI
- InChI=1S/C14H7F4NO4/c15-12-7-8(1-6-11(12)14(16,17)18)13(20)23-10-4-2-9(3-5-10)19(21)22/h1-7H
- InChI Key
- URLFJWXOINMPNN-UHFFFAOYSA-N
- Formula
- C14H7F4NO4
- SMILES
-
O=C(Oc1ccc([N+](=O)[O-])cc1)c1
ccc(C(F)(F)F)c(F)c1 - Molecular Weight1
- 329.20
- 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 | 0.7679 | Relay (... Calculated Property | |
| ΔfG° | -711.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1001.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.74 | kJ/mol | Relay (... Calculated Property |
| IE | 9.72 | eV | Relay (... Calculated Property |
| log10WS | -5.25 | Relay (... Calculated Property | |
| logPoct/wat | 3.972 | Crippen Calculated Property | |
| McVol | 192.540 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | 2101.00 | NIST | |
| Tboil | 609.32 | K | Relay (... Calculated Property |
| Tc | 869.65 | K | Relay (... Calculated Property |
| Tfus | 362.22 | K | Relay (... Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.75; 585.39] | J/mol×K | [810.00; 1044.90] | 
|
| Cp,gas | 539.75 | J/mol×K | 810.00 | Joback Calculated Property |
| Cp,gas | 549.60 | J/mol×K | 849.15 | Joback Calculated Property |
| Cp,gas | 558.47 | J/mol×K | 888.30 | Joback Calculated Property |
| Cp,gas | 566.42 | J/mol×K | 927.45 | Joback Calculated Property |
| Cp,gas | 573.51 | J/mol×K | 966.60 | Joback Calculated Property |
| Cp,gas | 579.81 | J/mol×K | 1005.75 | Joback Calculated Property |
| Cp,gas | 585.39 | J/mol×K | 1044.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 4-nitrophenyl ester.
Sources
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