- InChI
- InChI=1S/C11H18F3NO3S/c1-3-4-6-18-9(16)8(5-7-19-2)15-10(17)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,17)/t8-/m0/s1
- InChI Key
- GMLYSZLQJGGOFS-UHFFFAOYSA-N
- Formula
- C11H18F3NO3S
- SMILES
-
CCCCOC(=O)[C@H](CCSC)NC(=O)C(F
)(F)F - Molecular Weight1
- 301.33
- Other Names
-
- Methionine, N-(trifluoroacetyl)-, butyl ester, L-
- Met, butyl ester, TFA
- Met TFA Bu
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1284.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.11 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 206.500 | ml/mol | McGowan Calculated Property |
| Inp | 1568.00 | NIST | |
| Tboil | 546.43 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.60; 670.65] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.61650e+01 | |||
| Coefficient B | 1.20373e+00 | |||
| Coefficient C | -6.93900e-04 | |||
| Coefficient D | 1.24660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 315.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 438.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 489.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 533.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 571.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 604.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 631.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 653.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 670.65 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to L-Methionine, N-(trifluoroacetyl)-, butyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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