- InChI
- InChI=1S/C21H27F5O5/c1-2-3-4-5-6-7-8-9-10-30-15(27)12-29-13-16(28)31-11-14-17(22)19(24)21(26)20(25)18(14)23/h2-13H2,1H3
- InChI Key
- ZSJMGSIWZGNAHZ-UHFFFAOYSA-N
- Formula
- C21H27F5O5
- SMILES
-
CCCCCCCCCCOC(=O)COCC(=O)OCc1c(
F)c(F)c(F)c(F)c1F - Molecular Weight1
- 454.43
- 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° | -1356.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1899.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.56 | kJ/mol | Joback Calculated Property |
| log10WS | -6.68 | Crippen Calculated Property | |
| logPoct/wat | 5.126 | Crippen Calculated Property | |
| McVol | 312.590 | ml/mol | McGowan Calculated Property |
| Pc | 1022.04 | kPa | Joback Calculated Property |
| Inp | [3053.00; 3053.00] |
|
|
| Inp | 3053.00 | NIST | |
| Inp | 3053.00 | NIST | |
| Tboil | 902.81 | K | Joback Calculated Property |
| Tc | 1106.22 | K | Joback Calculated Property |
| Tfus | 584.95 | K | Joback Calculated Property |
| Vc | 1.260 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [999.57; 1067.46] | J/mol×K | [902.81; 1106.22] |
|
| Cp,gas | 999.57 | J/mol×K | 902.81 | Joback Calculated Property |
| Cp,gas | 1014.16 | J/mol×K | 936.71 | Joback Calculated Property |
| Cp,gas | 1027.44 | J/mol×K | 970.61 | Joback Calculated Property |
| Cp,gas | 1039.42 | J/mol×K | 1004.51 | Joback Calculated Property |
| Cp,gas | 1050.08 | J/mol×K | 1038.41 | Joback Calculated Property |
| Cp,gas | 1059.43 | J/mol×K | 1072.31 | Joback Calculated Property |
| Cp,gas | 1067.46 | J/mol×K | 1106.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, decyl pentafluorobenzyl ester.
Sources
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