- InChI
- InChI=1S/C17H12ClF5O3/c1-17(2,26-9-5-3-8(18)4-6-9)16(24)25-7-10-11(19)13(21)15(23)14(22)12(10)20/h3-6H,7H2,1-2H3
- InChI Key
- LWCTUOXYEKQVKP-UHFFFAOYSA-N
- Formula
- C17H12ClF5O3
- SMILES
-
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1c
(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 394.72
- Other Names
-
- Clofibric acid, PFB
- 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.
- I : 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° | -1062.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1372.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.53 | kJ/mol | Joback Calculated Property |
| log10WS | -6.69 | Crippen Calculated Property | |
| logPoct/wat | 4.936 | Crippen Calculated Property | |
| McVol | 237.270 | ml/mol | McGowan Calculated Property |
| Pc | 1610.29 | kPa | Joback Calculated Property |
| Inp | [1933.00; 1934.00] |
|
|
| Inp | 1933.00 | NIST | |
| Inp | 1934.00 | NIST | |
| I | [2525.00; 2603.00] |
|
|
| I | 2525.00 | NIST | |
| I | 2525.00 | NIST | |
| I | 2603.00 | NIST | |
| Tboil | 800.86 | K | Joback Calculated Property |
| Tc | 1005.98 | K | Joback Calculated Property |
| Tfus | 538.99 | K | Joback Calculated Property |
| Vc | 0.942 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.84; 713.38] | J/mol×K | [800.86; 1005.98] |
|
| Cp,gas | 657.84 | J/mol×K | 800.86 | Joback Calculated Property |
| Cp,gas | 669.29 | J/mol×K | 835.05 | Joback Calculated Property |
| Cp,gas | 679.83 | J/mol×K | 869.23 | Joback Calculated Property |
| Cp,gas | 689.50 | J/mol×K | 903.42 | Joback Calculated Property |
| Cp,gas | 698.30 | J/mol×K | 937.61 | Joback Calculated Property |
| Cp,gas | 706.25 | J/mol×K | 971.79 | Joback Calculated Property |
| Cp,gas | 713.38 | J/mol×K | 1005.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CPIB PFB ester.
Sources
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