- InChI
- InChI=1S/C15H9ClF8O4/c16-8-1-3-9(4-2-8)28-11(26)6-5-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-6,12H,7H2/b6-5+
- InChI Key
- CMKCLBYCRXXRGB-AATRIKPKSA-N
- Formula
- C15H9ClF8O4
- SMILES
-
O=C(C=CC(=O)Oc1ccc(Cl)cc1)OCC(
F)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 440.67
- 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° | -1773.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2116.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.77 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 4.516 | Crippen Calculated Property | |
| McVol | 235.430 | ml/mol | McGowan Calculated Property |
| Pc | 1562.28 | kPa | Joback Calculated Property |
| Inp | [1929.00; 1929.00] |
|
|
| Inp | 1929.00 | NIST | |
| Inp | 1929.00 | NIST | |
| Tboil | 752.46 | K | Joback Calculated Property |
| Tc | 940.99 | K | Joback Calculated Property |
| Tfus | 463.89 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [664.69; 714.51] | J/mol×K | [752.46; 940.99] |
|
| Cp,gas | 664.69 | J/mol×K | 752.46 | Joback Calculated Property |
| Cp,gas | 674.81 | J/mol×K | 783.88 | Joback Calculated Property |
| Cp,gas | 684.11 | J/mol×K | 815.30 | Joback Calculated Property |
| Cp,gas | 692.67 | J/mol×K | 846.73 | Joback Calculated Property |
| Cp,gas | 700.54 | J/mol×K | 878.15 | Joback Calculated Property |
| Cp,gas | 707.80 | J/mol×K | 909.57 | Joback Calculated Property |
| Cp,gas | 714.51 | J/mol×K | 940.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-chlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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