- InChI
- InChI=1S/C12H11F3O4/c1-18-10(16)7-4-8-2-5-9(6-3-8)19-11(17)12(13,14)15/h2-3,5-6H,4,7H2,1H3
- InChI Key
- LYFORWVQNRLTOQ-UHFFFAOYSA-N
- Formula
- C12H11F3O4
- SMILES
-
COC(=O)CCc1ccc(OC(=O)C(F)(F)F)
cc1 - Molecular Weight1
- 276.21
- 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 | 0.6343 | Relay (1.0) Calculated Property | |
| ΔfG° | -896.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1253.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.260 | Crippen Calculated Property | |
| McVol | 176.370 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | [1430.00; 1430.00] |
|
|
| Inp | 1430.00 | NIST | |
| Inp | 1430.00 | NIST | |
| Tboil | 525.86 | K | Relay (1.0) Calculated Property |
| Tc | 697.23 | K | Relay (1.0) Calculated Property |
| Tfus | 283.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.91; 524.75] | J/mol×K | [652.78; 849.33] |
|
| Cp,gas | 463.91 | J/mol×K | 652.78 | Joback Calculated Property |
| Cp,gas | 475.93 | J/mol×K | 685.54 | Joback Calculated Property |
| Cp,gas | 487.17 | J/mol×K | 718.30 | Joback Calculated Property |
| Cp,gas | 497.66 | J/mol×K | 751.06 | Joback Calculated Property |
| Cp,gas | 507.40 | J/mol×K | 783.81 | Joback Calculated Property |
| Cp,gas | 516.43 | J/mol×K | 816.57 | Joback Calculated Property |
| Cp,gas | 524.75 | J/mol×K | 849.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Hydroxyphenylpropionic acid, TFA-ME.
Sources
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