- InChI
- InChI=1S/C9H7F3O2/c1-6-3-2-4-7(5-6)14-8(13)9(10,11)12/h2-5H,1H3
- InChI Key
- FXNFSBCSHQEHSB-UHFFFAOYSA-N
- Formula
- C9H7F3O2
- SMILES
- Cc1cccc(OC(=O)C(F)(F)F)c1
- Molecular Weight1
- 204.15
- CAS
- 1736-09-0
- Other Names
-
- 3-Methylphenyl trifluoroacetate
- Acetic acid, trifluoro-, m-tolyl ester
- Trifluoroacetic acid, 3-methylphenyl ester
- Trifluoroacetic acid, 3-tolyl 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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° | -687.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -845.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 2.463 | Crippen Calculated Property | |
| McVol | 126.660 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Tboil | 507.85 | K | Joback Calculated Property |
| Tc | 706.00 | K | Joback Calculated Property |
| Tfus | 306.48 | K | Joback Calculated Property |
| Vc | 0.498 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.63; 342.69] | J/mol×K | [507.85; 706.00] | 
|
| Cp,gas | 284.63 | J/mol×K | 507.85 | Joback Calculated Property |
| Cp,gas | 295.99 | J/mol×K | 540.87 | Joback Calculated Property |
| Cp,gas | 306.64 | J/mol×K | 573.90 | Joback Calculated Property |
| Cp,gas | 316.61 | J/mol×K | 606.92 | Joback Calculated Property |
| Cp,gas | 325.92 | J/mol×K | 639.95 | Joback Calculated Property |
| Cp,gas | 334.60 | J/mol×K | 672.97 | Joback Calculated Property |
| Cp,gas | 342.69 | J/mol×K | 706.00 | Joback Calculated Property |
| ΔvapH | 47.40 | kJ/mol | 401.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [329.93; 465.96] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61363e+01 | |||
| Coefficient B | -4.64500e+03 | |||
| Coefficient C | -3.68500e+01 | |||
| Temperature range, min. | 329.93 | |||
| Temperature range, max. | 465.96 | |||
| Pvap | 1.33 | kPa | 329.93 | Calculated Property |
| Pvap | 2.90 | kPa | 345.04 | Calculated Property |
| Pvap | 5.87 | kPa | 360.16 | Calculated Property |
| Pvap | 11.14 | kPa | 375.27 | Calculated Property |
| Pvap | 20.04 | kPa | 390.39 | Calculated Property |
| Pvap | 34.34 | kPa | 405.50 | Calculated Property |
| Pvap | 56.41 | kPa | 420.62 | Calculated Property |
| Pvap | 89.23 | kPa | 435.73 | Calculated Property |
| Pvap | 136.50 | kPa | 450.85 | Calculated Property |
| Pvap | 202.66 | kPa | 465.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, 3-methylphenyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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