- InChI
- InChI=1S/C16H13ClF8O4/c17-10-3-1-9(2-4-10)7-28-11(26)5-6-12(27)29-8-14(20,21)16(24,25)15(22,23)13(18)19/h1-4,13H,5-8H2
- InChI Key
- PQODNKUVYMEDBG-UHFFFAOYSA-N
- Formula
- C16H13ClF8O4
- SMILES
-
O=C(CCC(=O)OCC(F)(F)C(F)(F)C(F
)(F)C(F)F)OCc1ccc(Cl)cc1 - Molecular Weight1
- 456.71
- 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° | -1845.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2254.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 4.878 | Crippen Calculated Property | |
| McVol | 253.820 | ml/mol | McGowan Calculated Property |
| Pc | 1394.37 | kPa | Joback Calculated Property |
| Inp | [2038.00; 2038.00] |
|
|
| Inp | 2038.00 | NIST | |
| Inp | 2038.00 | NIST | |
| Tboil | 771.18 | K | Joback Calculated Property |
| Tc | 955.87 | K | Joback Calculated Property |
| Tfus | 480.24 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.13; 798.34] | J/mol×K | [771.18; 955.87] |
|
| Cp,gas | 743.13 | J/mol×K | 771.18 | Joback Calculated Property |
| Cp,gas | 754.27 | J/mol×K | 801.96 | Joback Calculated Property |
| Cp,gas | 764.56 | J/mol×K | 832.74 | Joback Calculated Property |
| Cp,gas | 774.06 | J/mol×K | 863.52 | Joback Calculated Property |
| Cp,gas | 782.81 | J/mol×K | 894.30 | Joback Calculated Property |
| Cp,gas | 790.89 | J/mol×K | 925.09 | Joback Calculated Property |
| Cp,gas | 798.34 | J/mol×K | 955.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-chlorobenzyl ester.
Sources
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