- InChI
- InChI=1S/C16H20F2O4/c1-11(2)9-21-15(19)4-3-5-16(20)22-10-12-6-7-13(17)14(18)8-12/h6-8,11H,3-5,9-10H2,1-2H3
- InChI Key
- NQWZPRDIWNTFTP-UHFFFAOYSA-N
- Formula
- C16H20F2O4
- SMILES
-
CC(C)COC(=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° | -682.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1047.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 3.377 | Crippen Calculated Property | |
| McVol | 230.960 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Inp | [2207.00; 2207.00] |
|
|
| Inp | 2207.00 | NIST | |
| Inp | 2207.00 | NIST | |
| Tboil | 752.80 | K | Joback Calculated Property |
| Tc | 945.68 | K | Joback Calculated Property |
| Tfus | 452.04 | K | Joback Calculated Property |
| Vc | 0.901 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.63; 735.32] | J/mol×K | [752.80; 945.68] |
|
| Cp,gas | 663.63 | J/mol×K | 752.80 | Joback Calculated Property |
| Cp,gas | 677.78 | J/mol×K | 784.95 | Joback Calculated Property |
| Cp,gas | 691.04 | J/mol×K | 817.09 | Joback Calculated Property |
| Cp,gas | 703.41 | J/mol×K | 849.24 | Joback Calculated Property |
| Cp,gas | 714.91 | J/mol×K | 881.39 | Joback Calculated Property |
| Cp,gas | 725.55 | J/mol×K | 913.53 | Joback Calculated Property |
| Cp,gas | 735.32 | J/mol×K | 945.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,4-difluorobenzyl isobutyl ester.
Sources
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