- InChI
- InChI=1S/C10H9F3O2/c1-6-3-7(2)5-8(4-6)15-9(14)10(11,12)13/h3-5H,1-2H3
- InChI Key
- CDSQTRNMTYWKEC-UHFFFAOYSA-N
- Formula
- C10H9F3O2
- SMILES
- Cc1cc(C)cc(OC(=O)C(F)(F)F)c1
- Molecular Weight1
- 218.17
- Other Names
-
- Trifluoroacetic acid, 3,5-dimethylphenyl ester
- 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 | 0.4918 | Relay (1.0) Calculated Property | |
| ΔfG° | -689.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -943.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.771 | Crippen Calculated Property | |
| McVol | 140.750 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Inp | [1059.00; 1059.00] |
|
|
| Inp | 1059.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Tboil | 456.67 | K | Relay (1.0) Calculated Property |
| Tc | 634.00 | K | Relay (1.0) Calculated Property |
| Tfus | 277.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.31; 389.79] | J/mol×K | [535.71; 732.30] |
|
| Cp,gas | 328.31 | J/mol×K | 535.71 | Joback Calculated Property |
| Cp,gas | 340.22 | J/mol×K | 568.48 | Joback Calculated Property |
| Cp,gas | 351.43 | J/mol×K | 601.24 | Joback Calculated Property |
| Cp,gas | 361.97 | J/mol×K | 634.01 | Joback Calculated Property |
| Cp,gas | 371.86 | J/mol×K | 666.77 | Joback Calculated Property |
| Cp,gas | 381.13 | J/mol×K | 699.54 | Joback Calculated Property |
| Cp,gas | 389.79 | J/mol×K | 732.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dimethylphenyl 2,2,2-trifluoroacetate.
Sources
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