- InChI
- InChI=1S/C14H6F5NO4/c15-9-1-2-11(20(22)23)12(6-9)24-13(21)7-3-8(14(17,18)19)5-10(16)4-7/h1-6H
- InChI Key
- RXXJQGVZSXNNJV-UHFFFAOYSA-N
- Formula
- C14H6F5NO4
- SMILES
-
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c
1cc(F)cc(C(F)(F)F)c1 - Molecular Weight1
- 347.19
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -916.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1149.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 4.111 | Crippen Calculated Property | |
| McVol | 194.310 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | 1830.00 | NIST | |
| Tboil | 814.25 | K | Joback Calculated Property |
| Tc | 1041.36 | K | Joback Calculated Property |
| Tfus | 571.60 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.57; 588.75] | J/mol×K | [814.25; 1041.36] | 
|
| Cp,gas | 545.57 | J/mol×K | 814.25 | Joback Calculated Property |
| Cp,gas | 554.88 | J/mol×K | 852.10 | Joback Calculated Property |
| Cp,gas | 563.27 | J/mol×K | 889.95 | Joback Calculated Property |
| Cp,gas | 570.79 | J/mol×K | 927.80 | Joback Calculated Property |
| Cp,gas | 577.52 | J/mol×K | 965.66 | Joback Calculated Property |
| Cp,gas | 583.48 | J/mol×K | 1003.51 | Joback Calculated Property |
| Cp,gas | 588.75 | J/mol×K | 1041.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzoic acid, 2-nitro-5-fluorophenyl ester.
Sources
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