- InChI
- InChI=1S/C13H9F5O2/c1-3-5-6(4-2)20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h6H,4H2,1-2H3
- InChI Key
- ZBEFRKYTRGWTFP-UHFFFAOYSA-N
- Formula
- C13H9F5O2
- SMILES
-
CC#CC(CC)OC(=O)c1c(F)c(F)c(F)c
(F)c1F - Molecular Weight1
- 292.20
- 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 | 0.5662 | Relay (1.0) Calculated Property | |
| ΔfG° | -884.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -894.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.341 | Crippen Calculated Property | |
| McVol | 177.960 | ml/mol | McGowan Calculated Property |
| Pc | 2027.23 | kPa | Joback Calculated Property |
| Inp | 1388.00 | NIST | |
| Tboil | 501.03 | K | Relay (1.0) Calculated Property |
| Tc | 707.88 | K | Relay (1.0) Calculated Property |
| Tfus | 300.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.54; 500.03] | J/mol×K | [629.62; 818.87] | 
|
| Cp,gas | 440.54 | J/mol×K | 629.62 | Joback Calculated Property |
| Cp,gas | 451.80 | J/mol×K | 661.16 | Joback Calculated Property |
| Cp,gas | 462.52 | J/mol×K | 692.70 | Joback Calculated Property |
| Cp,gas | 472.71 | J/mol×K | 724.24 | Joback Calculated Property |
| Cp,gas | 482.36 | J/mol×K | 755.79 | Joback Calculated Property |
| Cp,gas | 491.47 | J/mol×K | 787.33 | Joback Calculated Property |
| Cp,gas | 500.03 | J/mol×K | 818.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, hex-4-yn-3-yl ester.
Sources
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