- InChI
- InChI=1S/C9H7F3O3/c1-14-6-2-4-7(5-3-6)15-8(13)9(10,11)12/h2-5H,1H3
- InChI Key
- USKCDUZMASNBCQ-UHFFFAOYSA-N
- Formula
- C9H7F3O3
- SMILES
- COc1ccc(OC(=O)C(F)(F)F)cc1
- Molecular Weight1
- 220.15
- CAS
- 5672-87-7
- Other Names
-
- Acetic acid, trifluoro-, p-methoxyphenyl ester
- 4-Methoxyphenol trifluoroacetate
- Trifluoroacetic acid, 4-methoxyphenyl ester
- 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° | -792.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -978.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 2.163 | Crippen Calculated Property | |
| McVol | 132.530 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| Inp | [1111.00; 1111.00] |
|
|
| Inp | 1111.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Tboil | 530.27 | K | Joback Calculated Property |
| Tc | 726.85 | K | Joback Calculated Property |
| Tfus | 328.71 | K | Joback Calculated Property |
| Vc | 0.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.45; 364.65] | J/mol×K | [530.27; 726.85] |
|
| Cp,gas | 307.45 | J/mol×K | 530.27 | Joback Calculated Property |
| Cp,gas | 318.53 | J/mol×K | 563.03 | Joback Calculated Property |
| Cp,gas | 328.98 | J/mol×K | 595.80 | Joback Calculated Property |
| Cp,gas | 338.80 | J/mol×K | 628.56 | Joback Calculated Property |
| Cp,gas | 348.01 | J/mol×K | 661.32 | Joback Calculated Property |
| Cp,gas | 356.62 | J/mol×K | 694.09 | Joback Calculated Property |
| Cp,gas | 364.65 | J/mol×K | 726.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 2,2,2-trifluoro-, 4-methoxyphenyl ester.
Sources
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