- InChI
- InChI=1S/C22H18F8O4/c23-19(24)21(27,28)22(29,30)20(25,26)13-33-17(31)7-4-8-18(32)34-16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-12,19H,4,7-8,13H2
- InChI Key
- VJNSVNVJOCWDCP-UHFFFAOYSA-N
- Formula
- C22H18F8O4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(-c2ccccc2)c
c1)OCC(F)(F)C(F)(F)C(F)(F)C(F) F - Molecular Weight1
- 498.36
- 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° | -1670.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2125.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.28 | kJ/mol | Joback Calculated Property |
| log10WS | -7.86 | Crippen Calculated Property | |
| logPoct/wat | 6.144 | Crippen Calculated Property | |
| McVol | 302.360 | ml/mol | McGowan Calculated Property |
| Pc | 1200.62 | kPa | Joback Calculated Property |
| Inp | [2581.00; 2581.00] |
|
|
| Inp | 2581.00 | NIST | |
| Inp | 2581.00 | NIST | |
| Tboil | 897.71 | K | Joback Calculated Property |
| Tc | 1103.18 | K | Joback Calculated Property |
| Tfus | 544.36 | K | Joback Calculated Property |
| Vc | 1.204 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [958.10; 1016.73] | J/mol×K | [897.71; 1103.18] |
|
| Cp,gas | 958.10 | J/mol×K | 897.71 | Joback Calculated Property |
| Cp,gas | 969.98 | J/mol×K | 931.95 | Joback Calculated Property |
| Cp,gas | 980.88 | J/mol×K | 966.20 | Joback Calculated Property |
| Cp,gas | 990.91 | J/mol×K | 1000.44 | Joback Calculated Property |
| Cp,gas | 1000.16 | J/mol×K | 1034.69 | Joback Calculated Property |
| Cp,gas | 1008.74 | J/mol×K | 1068.93 | Joback Calculated Property |
| Cp,gas | 1016.73 | J/mol×K | 1103.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-biphenyl ester.
Sources
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