- InChI
- InChI=1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H
- InChI Key
- JFOIBTLTZWOAIC-UHFFFAOYSA-N
- Formula
- C8H4F3NO4
- SMILES
-
O=C(Oc1ccc([N+](=O)[O-])cc1)C(
F)(F)F - Molecular Weight1
- 235.12
- CAS
- 658-78-6
- Other Names
-
- p-Nitrophenyl trifluoroacetate
- 4-Nitrophenyl trifluoroacetate
- Acetic acid, trifluoro-, p-nitrophenyl ester
- Trifluoroacetic acid p-nitrophenyl ester
- Trifluoroacetic acid, 4-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).
- Tboilr : Boiling point at reduced pressure (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° | -660.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -836.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 2.062 | Crippen Calculated Property | |
| McVol | 129.990 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Inp | [1188.00; 1240.00] |
|
|
| Inp | 1240.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Tboil | 636.81 | K | Joback Calculated Property |
| Tc | 864.12 | K | Joback Calculated Property |
| Tfus | 438.82 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.53; 371.18] | J/mol×K | [636.81; 864.12] |
|
| Cp,gas | 326.53 | J/mol×K | 636.81 | Joback Calculated Property |
| Cp,gas | 335.87 | J/mol×K | 674.70 | Joback Calculated Property |
| Cp,gas | 344.39 | J/mol×K | 712.58 | Joback Calculated Property |
| Cp,gas | 352.14 | J/mol×K | 750.47 | Joback Calculated Property |
| Cp,gas | 359.16 | J/mol×K | 788.35 | Joback Calculated Property |
| Cp,gas | 365.50 | J/mol×K | 826.24 | Joback Calculated Property |
| Cp,gas | 371.18 | J/mol×K | 864.12 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, 4-nitrophenyl ester.
Sources
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