- InChI
- InChI=1S/C17H15F5O2/c1-8(2)5-6-10(7-9(3)4)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h9-10H,1,7H2,2-4H3
- InChI Key
- XSVXMGNYSMOXGA-UHFFFAOYSA-N
- Formula
- C17H15F5O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 346.29
- 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° | -774.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1063.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.88 | kJ/mol | Joback Calculated Property |
| log10WS | -6.66 | Crippen Calculated Property | |
| logPoct/wat | 4.533 | Crippen Calculated Property | |
| McVol | 230.020 | ml/mol | McGowan Calculated Property |
| Pc | 1537.87 | kPa | Joback Calculated Property |
| Inp | 1612.00 | NIST | |
| Tboil | 717.26 | K | Joback Calculated Property |
| Tc | 908.56 | K | Joback Calculated Property |
| Tfus | 505.86 | K | Joback Calculated Property |
| Vc | 0.925 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.79; 692.42] | J/mol×K | [717.26; 908.56] | 
|
| Cp,gas | 622.79 | J/mol×K | 717.26 | Joback Calculated Property |
| Cp,gas | 636.24 | J/mol×K | 749.14 | Joback Calculated Property |
| Cp,gas | 648.93 | J/mol×K | 781.03 | Joback Calculated Property |
| Cp,gas | 660.89 | J/mol×K | 812.91 | Joback Calculated Property |
| Cp,gas | 672.11 | J/mol×K | 844.79 | Joback Calculated Property |
| Cp,gas | 682.62 | J/mol×K | 876.67 | Joback Calculated Property |
| Cp,gas | 692.42 | J/mol×K | 908.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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