- InChI
- InChI=1S/C17H19F5O5/c1-2-3-4-5-6-26-11(23)8-25-9-12(24)27-7-10-13(18)15(20)17(22)16(21)14(10)19/h2-9H2,1H3
- InChI Key
- MQVOXGNYFNWQTH-UHFFFAOYSA-N
- Formula
- C17H19F5O5
- SMILES
-
CCCCCCOC(=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° | -1390.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1817.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 3.565 | Crippen Calculated Property | |
| McVol | 256.230 | ml/mol | McGowan Calculated Property |
| Pc | 1328.10 | kPa | Joback Calculated Property |
| Inp | [2566.00; 2566.00] |
|
|
| Inp | 2566.00 | NIST | |
| Inp | 2566.00 | NIST | |
| Tboil | 811.29 | K | Joback Calculated Property |
| Tc | 996.24 | K | Joback Calculated Property |
| Tfus | 539.87 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.85; 830.58] | J/mol×K | [811.29; 996.24] |
|
| Cp,gas | 766.85 | J/mol×K | 811.29 | Joback Calculated Property |
| Cp,gas | 779.72 | J/mol×K | 842.11 | Joback Calculated Property |
| Cp,gas | 791.71 | J/mol×K | 872.94 | Joback Calculated Property |
| Cp,gas | 802.80 | J/mol×K | 903.76 | Joback Calculated Property |
| Cp,gas | 812.98 | J/mol×K | 934.59 | Joback Calculated Property |
| Cp,gas | 822.25 | J/mol×K | 965.41 | Joback Calculated Property |
| Cp,gas | 830.58 | J/mol×K | 996.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl pentafluorobenzyl ester.
Sources
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