- InChI
- InChI=1S/C18H15F15O2/c1-8(2)5-6-10(7-9(3)4)35-11(34)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h9-10H,1,7H2,2-4H3
- InChI Key
- NFZUCRFRZSIQAT-UHFFFAOYSA-N
- Formula
- C18H15F15O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)C(F)(F
)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C (F)(F)C(F)(F)F - Molecular Weight1
- 548.29
- 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° | -2758.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3285.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.28 | kJ/mol | Joback Calculated Property |
| log10WS | -8.28 | Crippen Calculated Property | |
| logPoct/wat | 6.898 | Crippen Calculated Property | |
| McVol | 285.570 | ml/mol | McGowan Calculated Property |
| Pc | 965.07 | kPa | Joback Calculated Property |
| Inp | 1277.00 | NIST | |
| Tboil | 658.65 | K | Joback Calculated Property |
| Tc | 815.06 | K | Joback Calculated Property |
| Tfus | 450.95 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [858.57; 927.84] | J/mol×K | [658.65; 815.06] | 
|
| Cp,gas | 858.57 | J/mol×K | 658.65 | Joback Calculated Property |
| Cp,gas | 872.33 | J/mol×K | 684.72 | Joback Calculated Property |
| Cp,gas | 885.10 | J/mol×K | 710.79 | Joback Calculated Property |
| Cp,gas | 896.96 | J/mol×K | 736.85 | Joback Calculated Property |
| Cp,gas | 907.98 | J/mol×K | 762.92 | Joback Calculated Property |
| Cp,gas | 918.25 | J/mol×K | 788.99 | Joback Calculated Property |
| Cp,gas | 927.84 | J/mol×K | 815.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester.
Sources
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