- InChI
- InChI=1S/C19H16F4O4/c20-14-4-6-16(22)12(8-14)10-26-18(24)2-1-3-19(25)27-11-13-9-15(21)5-7-17(13)23/h4-9H,1-3,10-11H2
- InChI Key
- MCRRIWGBIFJZCM-UHFFFAOYSA-N
- Formula
- C19H16F4O4
- SMILES
-
O=C(CCCC(=O)OCc1cc(F)ccc1F)OCc
1cc(F)ccc1F - Molecular Weight1
- 384.32
- 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 | 0.8908 | Relay (1.0) Calculated Property | |
| ΔfG° | -951.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1254.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.200 | Crippen Calculated Property | |
| McVol | 253.010 | ml/mol | McGowan Calculated Property |
| Pc | 1564.75 | kPa | Joback Calculated Property |
| Inp | [2418.00; 2418.00] |
|
|
| Inp | 2418.00 | NIST | |
| Inp | 2418.00 | NIST | |
| Tboil | 647.23 | K | Relay (1.0) Calculated Property |
| Tc | 867.22 | K | Relay (1.0) Calculated Property |
| Tfus | 336.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.945 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [750.40; 806.95] | J/mol×K | [857.06; 1062.03] |
|
| Cp,gas | 750.40 | J/mol×K | 857.06 | Joback Calculated Property |
| Cp,gas | 762.38 | J/mol×K | 891.22 | Joback Calculated Property |
| Cp,gas | 773.32 | J/mol×K | 925.38 | Joback Calculated Property |
| Cp,gas | 783.24 | J/mol×K | 959.54 | Joback Calculated Property |
| Cp,gas | 792.13 | J/mol×K | 993.70 | Joback Calculated Property |
| Cp,gas | 800.03 | J/mol×K | 1027.86 | Joback Calculated Property |
| Cp,gas | 806.95 | J/mol×K | 1062.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2,5-difluorobenzyl) ester.
Sources
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