- InChI
- InChI=1S/C16H20F2O4/c1-2-3-9-21-15(19)5-4-6-16(20)22-11-12-7-8-13(17)14(18)10-12/h7-8,10H,2-6,9,11H2,1H3
- InChI Key
- CCWUSAQOLGNRSN-UHFFFAOYSA-N
- Formula
- C16H20F2O4
- SMILES
-
CCCCOC(=O)CCCC(=O)OCc1ccc(F)c(
F)c1 - Molecular Weight1
- 314.32
- 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° | -680.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1041.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.49 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 3.522 | Crippen Calculated Property | |
| McVol | 230.960 | ml/mol | McGowan Calculated Property |
| Pc | 1664.61 | kPa | Joback Calculated Property |
| Inp | 2256.00 | NIST | |
| Tboil | 753.24 | K | Joback Calculated Property |
| Tc | 943.80 | K | Joback Calculated Property |
| Tfus | 467.04 | K | Joback Calculated Property |
| Vc | 0.907 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.08; 734.14] | J/mol×K | [753.24; 943.80] | 
|
| Cp,gas | 663.08 | J/mol×K | 753.24 | Joback Calculated Property |
| Cp,gas | 677.05 | J/mol×K | 785.00 | Joback Calculated Property |
| Cp,gas | 690.16 | J/mol×K | 816.76 | Joback Calculated Property |
| Cp,gas | 702.41 | J/mol×K | 848.52 | Joback Calculated Property |
| Cp,gas | 713.82 | J/mol×K | 880.28 | Joback Calculated Property |
| Cp,gas | 724.40 | J/mol×K | 912.04 | Joback Calculated Property |
| Cp,gas | 734.14 | J/mol×K | 943.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl 3,4-difluorobenzyl ester.
Sources
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