- InChI
- InChI=1S/C18H21F5O4/c1-10(2)5-4-8-26-12(24)6-3-7-13(25)27-9-11-14(19)16(21)18(23)17(22)15(11)20/h10H,3-9H2,1-2H3
- InChI Key
- GJDHJMHSYLSUDD-UHFFFAOYSA-N
- Formula
- C18H21F5O4
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)OCc1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 396.35
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9259 | Relay (1.0) Calculated Property | |
| ΔfG° | -1279.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1609.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.575 | Crippen Calculated Property | |
| McVol | 264.450 | ml/mol | McGowan Calculated Property |
| Pc | 1261.95 | kPa | Joback Calculated Property |
| Inp | 2117.00 | NIST | |
| Tboil | 603.95 | K | Relay (1.0) Calculated Property |
| Tc | 768.57 | K | Relay (1.0) Calculated Property |
| Tfus | 306.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.987 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.29; 864.31] | J/mol×K | [811.31; 996.92] | 
|
| Cp,gas | 796.29 | J/mol×K | 811.31 | Joback Calculated Property |
| Cp,gas | 809.86 | J/mol×K | 842.25 | Joback Calculated Property |
| Cp,gas | 822.54 | J/mol×K | 873.18 | Joback Calculated Property |
| Cp,gas | 834.32 | J/mol×K | 904.12 | Joback Calculated Property |
| Cp,gas | 845.21 | J/mol×K | 935.05 | Joback Calculated Property |
| Cp,gas | 855.21 | J/mol×K | 965.99 | Joback Calculated Property |
| Cp,gas | 864.31 | J/mol×K | 996.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl pentafluorobenzyl ester.
Sources
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