- InChI
- InChI=1S/C16H17F5O5/c1-2-3-4-5-25-10(22)7-24-8-11(23)26-6-9-12(17)14(19)16(21)15(20)13(9)18/h2-8H2,1H3
- InChI Key
- TYHBEPFLIRRVHS-UHFFFAOYSA-N
- Formula
- C16H17F5O5
- SMILES
-
CCCCCOC(=O)COCC(=O)OCc1c(F)c(F
)c(F)c(F)c1F - Molecular Weight1
- 384.30
- 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° | -1398.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1796.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 3.175 | Crippen Calculated Property | |
| McVol | 242.140 | ml/mol | McGowan Calculated Property |
| Pc | 1426.15 | kPa | Joback Calculated Property |
| Inp | [2450.00; 2450.00] |
|
|
| Inp | 2450.00 | NIST | |
| Inp | 2450.00 | NIST | |
| Tboil | 788.41 | K | Joback Calculated Property |
| Tc | 970.80 | K | Joback Calculated Property |
| Tfus | 528.60 | K | Joback Calculated Property |
| Vc | 0.980 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.72; 772.84] | J/mol×K | [788.41; 970.80] |
|
| Cp,gas | 710.72 | J/mol×K | 788.41 | Joback Calculated Property |
| Cp,gas | 723.13 | J/mol×K | 818.81 | Joback Calculated Property |
| Cp,gas | 734.73 | J/mol×K | 849.21 | Joback Calculated Property |
| Cp,gas | 745.52 | J/mol×K | 879.60 | Joback Calculated Property |
| Cp,gas | 755.48 | J/mol×K | 910.00 | Joback Calculated Property |
| Cp,gas | 764.58 | J/mol×K | 940.40 | Joback Calculated Property |
| Cp,gas | 772.84 | J/mol×K | 970.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, pentafluorobenzyl pentyl ester.
Sources
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