- InChI
- InChI=1S/C17H19F5O5/c1-9(2)4-3-5-26-11(23)7-25-8-12(24)27-6-10-13(18)15(20)17(22)16(21)14(10)19/h9H,3-8H2,1-2H3
- InChI Key
- YHYOSVSPNPDGNN-UHFFFAOYSA-N
- Formula
- C17H19F5O5
- SMILES
-
CC(C)CCCOC(=O)COCC(=O)OCc1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 398.32
- 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° | -1392.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1822.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.27 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 3.421 | Crippen Calculated Property | |
| McVol | 256.230 | ml/mol | McGowan Calculated Property |
| Pc | 1335.88 | kPa | Joback Calculated Property |
| Inp | [2521.00; 2521.00] |
|
|
| Inp | 2521.00 | NIST | |
| Inp | 2521.00 | NIST | |
| Tboil | 810.85 | K | Joback Calculated Property |
| Tc | 996.64 | K | Joback Calculated Property |
| Tfus | 524.87 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.40; 831.23] | J/mol×K | [810.85; 996.64] |
|
| Cp,gas | 767.40 | J/mol×K | 810.85 | Joback Calculated Property |
| Cp,gas | 780.34 | J/mol×K | 841.82 | Joback Calculated Property |
| Cp,gas | 792.37 | J/mol×K | 872.78 | Joback Calculated Property |
| Cp,gas | 803.48 | J/mol×K | 903.75 | Joback Calculated Property |
| Cp,gas | 813.67 | J/mol×K | 934.71 | Joback Calculated Property |
| Cp,gas | 822.93 | J/mol×K | 965.68 | Joback Calculated Property |
| Cp,gas | 831.23 | J/mol×K | 996.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isohexyl pentafluorobenzyl ester.
Sources
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