- InChI
- InChI=1S/C9H4F5NO4/c10-8(11,9(12,13)14)7(16)19-6-3-1-5(2-4-6)15(17)18/h1-4H
- InChI Key
- GCQVWUOVGFEIGY-UHFFFAOYSA-N
- Formula
- C9H4F5NO4
- SMILES
-
O=C(Oc1ccc([N+](=O)[O-])cc1)C(
F)(F)C(F)(F)F - Molecular Weight1
- 285.12
- CAS
- 959070-21-4
- Other Names
-
- Pentafluoropropanoic 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).
- 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° | -1039.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1257.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.83 | Crippen Calculated Property | |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 147.620 | ml/mol | McGowan Calculated Property |
| Pc | 2784.72 | kPa | Joback Calculated Property |
| Inp | 1224.00 | NIST | |
| Tboil | 655.00 | K | Joback Calculated Property |
| Tc | 870.50 | K | Joback Calculated Property |
| Tfus | 453.69 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.58; 438.03] | J/mol×K | [655.00; 870.50] | 
|
| Cp,gas | 393.58 | J/mol×K | 655.00 | Joback Calculated Property |
| Cp,gas | 402.97 | J/mol×K | 690.92 | Joback Calculated Property |
| Cp,gas | 411.49 | J/mol×K | 726.83 | Joback Calculated Property |
| Cp,gas | 419.19 | J/mol×K | 762.75 | Joback Calculated Property |
| Cp,gas | 426.14 | J/mol×K | 798.67 | Joback Calculated Property |
| Cp,gas | 432.40 | J/mol×K | 834.58 | Joback Calculated Property |
| Cp,gas | 438.03 | J/mol×K | 870.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitrophenol, pentafluoropropionate.
Sources
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