- InChI
- InChI=1S/C18H17F5O2/c1-5-6-10(4)11(8-7-9(2)3)25-18(24)12-13(19)15(21)17(23)16(22)14(12)20/h10-11H,2,5-6H2,1,3-4H3
- InChI Key
- JMJZILCDXAMXNO-UHFFFAOYSA-N
- Formula
- C18H17F5O2
- SMILES
-
C=C(C)C#CC(OC(=O)c1c(F)c(F)c(F
)c(F)c1F)C(C)CCC - Molecular Weight1
- 360.32
- 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).
- 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° | -765.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1083.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.10 | kJ/mol | Joback Calculated Property |
| log10WS | -7.08 | Crippen Calculated Property | |
| logPoct/wat | 4.923 | Crippen Calculated Property | |
| McVol | 244.110 | ml/mol | McGowan Calculated Property |
| Pc | 1428.30 | kPa | Joback Calculated Property |
| Tboil | 740.14 | K | Joback Calculated Property |
| Tc | 930.59 | K | Joback Calculated Property |
| Tfus | 517.13 | K | Joback Calculated Property |
| Vc | 0.982 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.95; 748.76] | J/mol×K | [740.14; 930.59] | 
|
| Cp,gas | 676.95 | J/mol×K | 740.14 | Joback Calculated Property |
| Cp,gas | 690.85 | J/mol×K | 771.88 | Joback Calculated Property |
| Cp,gas | 703.96 | J/mol×K | 803.62 | Joback Calculated Property |
| Cp,gas | 716.29 | J/mol×K | 835.37 | Joback Calculated Property |
| Cp,gas | 727.86 | J/mol×K | 867.11 | Joback Calculated Property |
| Cp,gas | 738.68 | J/mol×K | 898.85 | Joback Calculated Property |
| Cp,gas | 748.76 | J/mol×K | 930.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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