- InChI
- InChI=1S/C10H4F5NO2/c11-9(12,10(13,14)15)8(17)18-7-3-1-6(5-16)2-4-7/h1-4H
- InChI Key
- QAKWNVVBWJTGSV-UHFFFAOYSA-N
- Formula
- C10H4F5NO2
- SMILES
-
N#Cc1ccc(OC(=O)C(F)(F)C(F)(F)F
)cc1 - Molecular Weight1
- 265.14
- 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° | -933.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1102.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 145.670 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Inp | 938.00 | NIST | |
| Tboil | 628.12 | K | Joback Calculated Property |
| Tc | 831.50 | K | Joback Calculated Property |
| Tfus | 386.34 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.03; 414.51] | J/mol×K | [628.12; 831.50] | 
|
| Cp,gas | 371.03 | J/mol×K | 628.12 | Joback Calculated Property |
| Cp,gas | 380.02 | J/mol×K | 662.02 | Joback Calculated Property |
| Cp,gas | 388.25 | J/mol×K | 695.91 | Joback Calculated Property |
| Cp,gas | 395.76 | J/mol×K | 729.81 | Joback Calculated Property |
| Cp,gas | 402.61 | J/mol×K | 763.71 | Joback Calculated Property |
| Cp,gas | 408.85 | J/mol×K | 797.61 | Joback Calculated Property |
| Cp,gas | 414.51 | J/mol×K | 831.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropanoic acid, 4-cyanophenyl ester.
Sources
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