- InChI
- InChI=1S/C20H25F5O5/c1-2-3-4-5-6-7-8-9-29-14(26)11-28-12-15(27)30-10-13-16(21)18(23)20(25)19(24)17(13)22/h2-12H2,1H3
- InChI Key
- CQPSXANIAHYQJB-UHFFFAOYSA-N
- Formula
- C20H25F5O5
- SMILES
-
CCCCCCCCCOC(=O)COCC(=O)OCc1c(F
)c(F)c(F)c(F)c1F - Molecular Weight1
- 440.40
- 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° | -1365.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1879.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 4.736 | Crippen Calculated Property | |
| McVol | 298.500 | ml/mol | McGowan Calculated Property |
| Pc | 1087.78 | kPa | Joback Calculated Property |
| Inp | [2933.00; 2933.00] |
|
|
| Inp | 2933.00 | NIST | |
| Inp | 2933.00 | NIST | |
| Tboil | 879.93 | K | Joback Calculated Property |
| Tc | 1077.35 | K | Joback Calculated Property |
| Tfus | 573.68 | K | Joback Calculated Property |
| Vc | 1.204 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [940.32; 1007.53] | J/mol×K | [879.93; 1077.35] |
|
| Cp,gas | 940.32 | J/mol×K | 879.93 | Joback Calculated Property |
| Cp,gas | 954.49 | J/mol×K | 912.83 | Joback Calculated Property |
| Cp,gas | 967.48 | J/mol×K | 945.74 | Joback Calculated Property |
| Cp,gas | 979.28 | J/mol×K | 978.64 | Joback Calculated Property |
| Cp,gas | 989.90 | J/mol×K | 1011.54 | Joback Calculated Property |
| Cp,gas | 999.32 | J/mol×K | 1044.45 | Joback Calculated Property |
| Cp,gas | 1007.53 | J/mol×K | 1077.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, nonyl pentafluorobenzyl ester.
Sources
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