- InChI
- InChI=1S/C17H22F2O4/c1-12(2)5-4-8-22-16(20)6-3-7-17(21)23-15-10-13(18)9-14(19)11-15/h9-12H,3-8H2,1-2H3
- InChI Key
- MTHUBQXXWJQNLU-UHFFFAOYSA-N
- Formula
- C17H22F2O4
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)Oc1cc(F)
cc(F)c1 - Molecular Weight1
- 328.35
- 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° | -674.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1067.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.020 | Crippen Calculated Property | |
| McVol | 245.050 | ml/mol | McGowan Calculated Property |
| Pc | 1551.22 | kPa | Joback Calculated Property |
| Inp | [2074.00; 2074.00] |
|
|
| Inp | 2074.00 | NIST | |
| Inp | 2074.00 | NIST | |
| Tboil | 775.68 | K | Joback Calculated Property |
| Tc | 968.23 | K | Joback Calculated Property |
| Tfus | 463.31 | K | Joback Calculated Property |
| Vc | 0.958 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.39; 792.54] | J/mol×K | [775.68; 968.23] |
|
| Cp,gas | 719.39 | J/mol×K | 775.68 | Joback Calculated Property |
| Cp,gas | 733.89 | J/mol×K | 807.77 | Joback Calculated Property |
| Cp,gas | 747.45 | J/mol×K | 839.86 | Joback Calculated Property |
| Cp,gas | 760.09 | J/mol×K | 871.96 | Joback Calculated Property |
| Cp,gas | 771.81 | J/mol×K | 904.05 | Joback Calculated Property |
| Cp,gas | 782.62 | J/mol×K | 936.14 | Joback Calculated Property |
| Cp,gas | 792.54 | J/mol×K | 968.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-difluorophenyl isohexyl ester.
Sources
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