- InChI
- InChI=1S/C17H19F5O4/c1-9(2)5-4-8-25-10(23)6-3-7-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h9H,3-8H2,1-2H3
- InChI Key
- XJXLBOULQWOGHT-UHFFFAOYSA-N
- Formula
- C17H19F5O4
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)Oc1c(F)c
(F)c(F)c(F)c1F - Molecular Weight1
- 382.32
- 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).
- 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° | -1287.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1690.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.83 | Crippen Calculated Property | |
| logPoct/wat | 4.437 | Crippen Calculated Property | |
| McVol | 250.360 | ml/mol | McGowan Calculated Property |
| Pc | 1352.64 | kPa | Joback Calculated Property |
| Inp | [1982.00; 1982.00] |
|
|
| Inp | 1982.00 | NIST | |
| Inp | 1982.00 | NIST | |
| Tboil | 788.43 | K | Joback Calculated Property |
| Tc | 971.70 | K | Joback Calculated Property |
| Tfus | 502.64 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.67; 806.00] | J/mol×K | [788.43; 971.70] |
|
| Cp,gas | 739.67 | J/mol×K | 788.43 | Joback Calculated Property |
| Cp,gas | 752.80 | J/mol×K | 818.98 | Joback Calculated Property |
| Cp,gas | 765.09 | J/mol×K | 849.52 | Joback Calculated Property |
| Cp,gas | 776.56 | J/mol×K | 880.07 | Joback Calculated Property |
| Cp,gas | 787.21 | J/mol×K | 910.61 | Joback Calculated Property |
| Cp,gas | 797.02 | J/mol×K | 941.16 | Joback Calculated Property |
| Cp,gas | 806.00 | J/mol×K | 971.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl pentafluorophenyl ester.
Sources
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