- InChI
- InChI=1S/C21H14F10O6/c22-10-12(24)16(28)20(17(29)13(10)25)36-6-4-34-8(32)2-1-3-9(33)35-5-7-37-21-18(30)14(26)11(23)15(27)19(21)31/h1-7H2
- InChI Key
- XESNITKCYHAJGC-UHFFFAOYSA-N
- Formula
- C21H14F10O6
- SMILES
-
O=C(CCCC(=O)OCCOc1c(F)c(F)c(F)
c(F)c1F)OCCOc1c(F)c(F)c(F)c(F) c1F - Molecular Weight1
- 552.32
- 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° | -2371.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2833.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.47 | kJ/mol | Joback Calculated Property |
| log10WS | -7.33 | Crippen Calculated Property | |
| logPoct/wat | 4.792 | Crippen Calculated Property | |
| McVol | 303.550 | ml/mol | McGowan Calculated Property |
| Pc | 1031.25 | kPa | Joback Calculated Property |
| Inp | 2617.00 | NIST | |
| Tboil | 973.16 | K | Joback Calculated Property |
| Tc | 1199.82 | K | Joback Calculated Property |
| Tfus | 699.15 | K | Joback Calculated Property |
| Vc | 1.260 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [950.96; 981.72] | J/mol×K | [973.16; 1199.82] | 
|
| Cp,gas | 950.96 | J/mol×K | 973.16 | Joback Calculated Property |
| Cp,gas | 960.66 | J/mol×K | 1010.94 | Joback Calculated Property |
| Cp,gas | 968.59 | J/mol×K | 1048.71 | Joback Calculated Property |
| Cp,gas | 974.70 | J/mol×K | 1086.49 | Joback Calculated Property |
| Cp,gas | 978.96 | J/mol×K | 1124.26 | Joback Calculated Property |
| Cp,gas | 981.32 | J/mol×K | 1162.04 | Joback Calculated Property |
| Cp,gas | 981.72 | J/mol×K | 1199.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-(pentafluorophenoxy)ethyl) ester.
Sources
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