- InChI
- InChI=1S/C14H4ClF15O2/c15-5-1-3-6(4-2-5)32-7(31)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)30/h1-4H
- InChI Key
- PXASKELRUZCUSF-UHFFFAOYSA-N
- Formula
- C14H4ClF15O2
- SMILES
-
O=C(Oc1ccc(Cl)cc1)C(F)(F)C(F)(
F)C(F)(F)C(F)(F)C(F)(F)C(F)(F) C(F)(F)F - Molecular Weight1
- 524.61
- 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° | -2978.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3370.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.91 | kJ/mol | Joback Calculated Property |
| log10WS | -7.53 | Crippen Calculated Property | |
| logPoct/wat | 6.619 | Crippen Calculated Property | |
| McVol | 230.590 | ml/mol | McGowan Calculated Property |
| Pc | 1294.86 | kPa | Joback Calculated Property |
| Inp | [1274.00; 1274.00] |
|
|
| Inp | 1274.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Tboil | 631.54 | K | Joback Calculated Property |
| Tc | 792.87 | K | Joback Calculated Property |
| Tfus | 414.35 | K | Joback Calculated Property |
| Vc | 0.978 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.19; 715.70] | J/mol×K | [631.54; 792.87] |
|
| Cp,gas | 665.19 | J/mol×K | 631.54 | Joback Calculated Property |
| Cp,gas | 675.80 | J/mol×K | 658.43 | Joback Calculated Property |
| Cp,gas | 685.43 | J/mol×K | 685.32 | Joback Calculated Property |
| Cp,gas | 694.16 | J/mol×K | 712.20 | Joback Calculated Property |
| Cp,gas | 702.06 | J/mol×K | 739.09 | Joback Calculated Property |
| Cp,gas | 709.21 | J/mol×K | 765.98 | Joback Calculated Property |
| Cp,gas | 715.70 | J/mol×K | 792.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, 4-chlorophenyl ester.
Sources
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