- InChI
- InChI=1S/C15H15F5O5/c1-7(2)3-24-9(21)5-23-6-10(22)25-4-8-11(16)13(18)15(20)14(19)12(8)17/h7H,3-6H2,1-2H3
- InChI Key
- UDCCKKOZPLOWHA-UHFFFAOYSA-N
- Formula
- C15H15F5O5
- SMILES
-
CC(C)COC(=O)COCC(=O)OCc1c(F)c(
F)c(F)c(F)c1F - Molecular Weight1
- 370.27
- 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° | -1409.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1781.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 2.641 | Crippen Calculated Property | |
| McVol | 228.050 | ml/mol | McGowan Calculated Property |
| Pc | 1545.13 | kPa | Joback Calculated Property |
| Inp | [2272.00; 2272.00] |
|
|
| Inp | 2272.00 | NIST | |
| Inp | 2272.00 | NIST | |
| Tboil | 765.09 | K | Joback Calculated Property |
| Tc | 947.06 | K | Joback Calculated Property |
| Tfus | 502.33 | K | Joback Calculated Property |
| Vc | 0.917 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.14; 716.72] | J/mol×K | [765.09; 947.06] |
|
| Cp,gas | 656.14 | J/mol×K | 765.09 | Joback Calculated Property |
| Cp,gas | 668.17 | J/mol×K | 795.42 | Joback Calculated Property |
| Cp,gas | 679.45 | J/mol×K | 825.75 | Joback Calculated Property |
| Cp,gas | 689.96 | J/mol×K | 856.08 | Joback Calculated Property |
| Cp,gas | 699.68 | J/mol×K | 886.40 | Joback Calculated Property |
| Cp,gas | 708.61 | J/mol×K | 916.73 | Joback Calculated Property |
| Cp,gas | 716.72 | J/mol×K | 947.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl pentafluorobenzyl ester.
Sources
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