- InChI
- InChI=1S/C20H16F6O4/c1-2-17(27)30-16-5-3-12(4-6-16)9-18(28)29-11-13-7-14(19(21,22)23)10-15(8-13)20(24,25)26/h3-8,10H,2,9,11H2,1H3
- InChI Key
- SHONDTYPJLMODP-UHFFFAOYSA-N
- Formula
- C20H16F6O4
- SMILES
-
CCC(=O)Oc1ccc(CC(=O)OCc2cc(C(F
)(F)F)cc(C(F)(F)F)c2)cc1 - Molecular Weight1
- 434.33
- 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 | 0.8849 | Relay (1.0) Calculated Property | |
| ΔfG° | -1317.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1850.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.326 | Crippen Calculated Property | |
| McVol | 270.640 | ml/mol | McGowan Calculated Property |
| Pc | 1412.25 | kPa | Joback Calculated Property |
| Inp | 2060.00 | NIST | |
| Tboil | 637.13 | K | Relay (1.0) Calculated Property |
| Tc | 876.93 | K | Relay (1.0) Calculated Property |
| Tfus | 378.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.005 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [825.38; 881.83] | J/mol×K | [867.04; 1072.91] | 
|
| Cp,gas | 825.38 | J/mol×K | 867.04 | Joback Calculated Property |
| Cp,gas | 837.08 | J/mol×K | 901.35 | Joback Calculated Property |
| Cp,gas | 847.79 | J/mol×K | 935.66 | Joback Calculated Property |
| Cp,gas | 857.55 | J/mol×K | 969.97 | Joback Calculated Property |
| Cp,gas | 866.44 | J/mol×K | 1004.29 | Joback Calculated Property |
| Cp,gas | 874.51 | J/mol×K | 1038.60 | Joback Calculated Property |
| Cp,gas | 881.83 | J/mol×K | 1072.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Hydroxyphenylacetic acid, propionyl, DTFMBz.
Sources
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