- InChI
- InChI=1S/C15H18F6O4/c1-3-6-10(4-2)25-12(23)8-5-7-11(22)24-9-14(17,18)13(16)15(19,20)21/h10,13H,4-5,7-9H2,1-2H3
- InChI Key
- CZDOPFKQQCJCDG-UHFFFAOYSA-N
- Formula
- C15H18F6O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCC(F)(
F)C(F)C(F)(F)F - Molecular Weight1
- 376.29
- 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).
- 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 | 0.7123 | Relay (... Calculated Property | |
| ΔfG° | -1357.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1939.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.45 | kJ/mol | Relay (... Calculated Property |
| IE | 9.84 | eV | Relay (... Calculated Property |
| log10WS | -4.27 | Relay (... Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 239.110 | ml/mol | McGowan Calculated Property |
| Pc | 1454.57 | kPa | Joback Calculated Property |
| Tboil | 529.27 | K | Relay (... Calculated Property |
| Tc | 681.22 | K | Relay (... Calculated Property |
| Tfus | 289.85 | K | Relay (... Calculated Property |
| Vc | 0.856 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.01; 755.97] | J/mol×K | [692.46; 866.65] | 
|
| Cp,gas | 686.01 | J/mol×K | 692.46 | Joback Calculated Property |
| Cp,gas | 699.54 | J/mol×K | 721.49 | Joback Calculated Property |
| Cp,gas | 712.29 | J/mol×K | 750.52 | Joback Calculated Property |
| Cp,gas | 724.28 | J/mol×K | 779.55 | Joback Calculated Property |
| Cp,gas | 735.53 | J/mol×K | 808.58 | Joback Calculated Property |
| Cp,gas | 746.09 | J/mol×K | 837.62 | Joback Calculated Property |
| Cp,gas | 755.97 | J/mol×K | 866.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2,2,3,4,4,4-hexafluorobutyl ester.
Sources
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