- InChI
- InChI=1S/C16H11F5O3/c17-15(18,16(19,20)21)14(22)24-13-8-6-12(7-9-13)23-10-11-4-2-1-3-5-11/h1-9H,10H2
- InChI Key
- ZOQSBSNUTWFGEI-UHFFFAOYSA-N
- Formula
- C16H11F5O3
- SMILES
-
O=C(Oc1ccc(OCc2ccccc2)cc1)C(F)
(F)C(F)(F)F - Molecular Weight1
- 346.25
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6783 | Relay (... Calculated Property | |
| ΔfG° | -1008.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1353.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.83 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -5.27 | Relay (... Calculated Property | |
| logPoct/wat | 4.369 | Crippen Calculated Property | |
| McVol | 210.940 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| Inp | 1720.00 | NIST | |
| Tboil | 582.95 | K | Relay (... Calculated Property |
| Tc | 772.95 | K | Relay (... Calculated Property |
| Tfus | 315.89 | K | Relay (... Calculated Property |
| Vc | 0.760 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.04; 652.56] | J/mol×K | [712.42; 920.20] | 
|
| Cp,gas | 589.04 | J/mol×K | 712.42 | Joback Calculated Property |
| Cp,gas | 602.09 | J/mol×K | 747.05 | Joback Calculated Property |
| Cp,gas | 614.08 | J/mol×K | 781.68 | Joback Calculated Property |
| Cp,gas | 625.05 | J/mol×K | 816.31 | Joback Calculated Property |
| Cp,gas | 635.08 | J/mol×K | 850.94 | Joback Calculated Property |
| Cp,gas | 644.22 | J/mol×K | 885.57 | Joback Calculated Property |
| Cp,gas | 652.56 | J/mol×K | 920.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropanoic acid, 4-benzyloxyphenyl ester.
Sources
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