- InChI
- InChI=1S/C14H10FNO4/c1-9-2-4-10(5-3-9)14(17)20-13-8-11(15)6-7-12(13)16(18)19/h2-8H,1H3
- InChI Key
- YFLLWSACVUSIJM-UHFFFAOYSA-N
- Formula
- C14H10FNO4
- SMILES
-
Cc1ccc(C(=O)Oc2cc(F)ccc2[N+](=
O)[O-])cc1 - Molecular Weight1
- 275.23
- Other Names
-
- p-Toluylic acid, 5-fluoro-2-nitrophenyl ester
- 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° | -130.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.23 | kJ/mol | Joback Calculated Property |
| log10WS | -5.02 | Crippen Calculated Property | |
| logPoct/wat | 3.262 | Crippen Calculated Property | |
| McVol | 187.230 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Inp | 1956.60 | NIST | |
| Tboil | 815.42 | K | Joback Calculated Property |
| Tc | 1067.37 | K | Joback Calculated Property |
| Tfus | 554.30 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.80; 566.37] | J/mol×K | [815.42; 1067.37] | 
|
| Cp,gas | 514.80 | J/mol×K | 815.42 | Joback Calculated Property |
| Cp,gas | 526.11 | J/mol×K | 857.41 | Joback Calculated Property |
| Cp,gas | 536.29 | J/mol×K | 899.40 | Joback Calculated Property |
| Cp,gas | 545.36 | J/mol×K | 941.40 | Joback Calculated Property |
| Cp,gas | 553.37 | J/mol×K | 983.39 | Joback Calculated Property |
| Cp,gas | 560.35 | J/mol×K | 1025.38 | Joback Calculated Property |
| Cp,gas | 566.37 | J/mol×K | 1067.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, 5-fluoro-2-nitrophenyl ester.
Sources
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