- InChI
- InChI=1S/C17H11F7O3/c18-15(19,16(20,21)17(22,23)24)14(25)27-13-8-6-12(7-9-13)26-10-11-4-2-1-3-5-11/h1-9H,10H2
- InChI Key
- DANFPIMUIVVMHE-UHFFFAOYSA-N
- Formula
- C17H11F7O3
- SMILES
-
O=C(Oc1ccc(OCc2ccccc2)cc1)C(F)
(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 396.26
- 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 | 0.7184 | Relay (1.0) Calculated Property | |
| ΔfG° | -1386.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1774.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.004 | Crippen Calculated Property | |
| McVol | 228.570 | ml/mol | McGowan Calculated Property |
| Pc | 1690.72 | kPa | Joback Calculated Property |
| Inp | 1767.00 | NIST | |
| Tboil | 593.85 | K | Relay (1.0) Calculated Property |
| Tc | 776.30 | K | Relay (1.0) Calculated Property |
| Tfus | 311.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.829 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [660.19; 721.35] | J/mol×K | [730.61; 930.36] | 
|
| Cp,gas | 660.19 | J/mol×K | 730.61 | Joback Calculated Property |
| Cp,gas | 672.76 | J/mol×K | 763.90 | Joback Calculated Property |
| Cp,gas | 684.28 | J/mol×K | 797.19 | Joback Calculated Property |
| Cp,gas | 694.82 | J/mol×K | 830.48 | Joback Calculated Property |
| Cp,gas | 704.46 | J/mol×K | 863.78 | Joback Calculated Property |
| Cp,gas | 713.28 | J/mol×K | 897.07 | Joback Calculated Property |
| Cp,gas | 721.35 | J/mol×K | 930.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, 4-benzyloxyphenyl ester.
Sources
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