- InChI
- InChI=1S/C21H11F15O3/c22-15(23,14(37)39-13-8-6-12(7-9-13)38-10-11-4-2-1-3-5-11)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h1-9H,10H2
- InChI Key
- KUVCRZQYGASDAZ-UHFFFAOYSA-N
- Formula
- C21H11F15O3
- SMILES
-
O=C(Oc1ccc(OCc2ccccc2)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
- 596.29
- 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° | -2900.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3395.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.79 | kJ/mol | Joback Calculated Property |
| log10WS | -9.07 | Crippen Calculated Property | |
| logPoct/wat | 7.545 | Crippen Calculated Property | |
| McVol | 299.090 | ml/mol | McGowan Calculated Property |
| Pc | 1040.58 | kPa | Joback Calculated Property |
| Inp | 1863.00 | NIST | |
| Tboil | 803.37 | K | Joback Calculated Property |
| Tc | 988.19 | K | Joback Calculated Property |
| Tfus | 511.97 | K | Joback Calculated Property |
| Vc | 1.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [947.27; 1002.13] | J/mol×K | [803.37; 988.19] | 
|
| Cp,gas | 947.27 | J/mol×K | 803.37 | Joback Calculated Property |
| Cp,gas | 958.29 | J/mol×K | 834.17 | Joback Calculated Property |
| Cp,gas | 968.39 | J/mol×K | 864.98 | Joback Calculated Property |
| Cp,gas | 977.70 | J/mol×K | 895.78 | Joback Calculated Property |
| Cp,gas | 986.34 | J/mol×K | 926.58 | Joback Calculated Property |
| Cp,gas | 994.44 | J/mol×K | 957.38 | Joback Calculated Property |
| Cp,gas | 1002.13 | J/mol×K | 988.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, 4-benzyloxyphenyl ester.
Sources
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