- InChI
- InChI=1S/C11H5F5O2/c1-3-4(2)18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h1,4H,2H3
- InChI Key
- KWGBKJUEKIANIM-UHFFFAOYSA-N
- Formula
- C11H5F5O2
- SMILES
-
C#CC(C)OC(=O)c1c(F)c(F)c(F)c(F
)c1F - Molecular Weight1
- 264.15
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5183 | Relay (... Calculated Property | |
| ΔfG° | -881.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.40 | kJ/mol | Relay (... Calculated Property |
| IE | 9.91 | eV | Relay (... Calculated Property |
| log10WS | -5.09 | Relay (... Calculated Property | |
| logPoct/wat | 2.561 | Crippen Calculated Property | |
| McVol | 149.780 | ml/mol | McGowan Calculated Property |
| Pc | 2400.57 | kPa | Joback Calculated Property |
| Inp | 1020.00 | NIST | |
| Tboil | 474.64 | K | Relay (... Calculated Property |
| Tc | 675.19 | K | Relay (... Calculated Property |
| Tfus | 301.33 | K | Relay (... Calculated Property |
| Vc | 0.543 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.51; 396.23] | J/mol×K | [564.98; 749.60] | 
|
| Cp,gas | 347.51 | J/mol×K | 564.98 | Joback Calculated Property |
| Cp,gas | 356.65 | J/mol×K | 595.75 | Joback Calculated Property |
| Cp,gas | 365.39 | J/mol×K | 626.52 | Joback Calculated Property |
| Cp,gas | 373.72 | J/mol×K | 657.29 | Joback Calculated Property |
| Cp,gas | 381.63 | J/mol×K | 688.06 | Joback Calculated Property |
| Cp,gas | 389.14 | J/mol×K | 718.83 | Joback Calculated Property |
| Cp,gas | 396.23 | J/mol×K | 749.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, but-3-yn-2-yl ester.
Sources
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