- InChI
- InChI=1S/C21H22F2O4/c22-18-8-3-1-6-16(18)12-14-26-20(24)10-5-11-21(25)27-15-13-17-7-2-4-9-19(17)23/h1-4,6-9H,5,10-15H2
- InChI Key
- ATRBGCAAEYMQBU-UHFFFAOYSA-N
- Formula
- C21H22F2O4
- SMILES
-
O=C(CCCC(=O)OCCc1ccccc1F)OCCc1
ccccc1F - Molecular Weight1
- 376.39
- 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 | 0.9181 | Relay (1.0) Calculated Property | |
| ΔfG° | -525.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -964.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.007 | Crippen Calculated Property | |
| McVol | 277.650 | ml/mol | McGowan Calculated Property |
| Pc | 1479.29 | kPa | Joback Calculated Property |
| Inp | 2702.00 | NIST | |
| Tboil | 675.14 | K | Relay (1.0) Calculated Property |
| Tc | 890.11 | K | Relay (1.0) Calculated Property |
| Tfus | 332.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.030 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [852.67; 915.18] | J/mol×K | [894.32; 1107.29] | 
|
| Cp,gas | 852.67 | J/mol×K | 894.32 | Joback Calculated Property |
| Cp,gas | 865.98 | J/mol×K | 929.81 | Joback Calculated Property |
| Cp,gas | 878.08 | J/mol×K | 965.31 | Joback Calculated Property |
| Cp,gas | 889.02 | J/mol×K | 1000.80 | Joback Calculated Property |
| Cp,gas | 898.83 | J/mol×K | 1036.30 | Joback Calculated Property |
| Cp,gas | 907.54 | J/mol×K | 1071.79 | Joback Calculated Property |
| Cp,gas | 915.18 | J/mol×K | 1107.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-(2-fluorophenyl)ethyl) ester.
Sources
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