- 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-/m1/s1
- InChI Key
- GMLYSZLQJGGOFS-MRVPVSSYSA-N
- Formula
- C11H18F3NO3S
- SMILES
-
CCCCOC(=O)C(CCSC)NC(=O)C(F)(F)
F - Molecular Weight1
- 301.33
- CAS
- 2340-90-1
- Other Names
-
- Methionine, N-(trifluoroacetyl)-, butyl ester, L-
- Met, butyl ester, TFA
- Met TFA Bu
- 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 | 0.6323 | Relay (1.0) Calculated Property | |
| ΔfG° | -782.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1296.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 206.500 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | 1568.00 | NIST | |
| Tboil | 541.66 | K | Relay (1.0) Calculated Property |
| Tc | 698.31 | K | Relay (1.0) Calculated Property |
| Tfus | 316.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.717 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.00; 641.31] | J/mol×K | [694.33; 880.93] | 
|
| Cp,gas | 576.00 | J/mol×K | 694.33 | Joback Calculated Property |
| Cp,gas | 588.76 | J/mol×K | 725.43 | Joback Calculated Property |
| Cp,gas | 600.74 | J/mol×K | 756.53 | Joback Calculated Property |
| Cp,gas | 611.96 | J/mol×K | 787.63 | Joback Calculated Property |
| Cp,gas | 622.45 | J/mol×K | 818.73 | Joback Calculated Property |
| Cp,gas | 632.23 | J/mol×K | 849.83 | Joback Calculated Property |
| Cp,gas | 641.31 | J/mol×K | 880.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Methionine, N-(trifluoroacetyl)-, butyl ester.
Sources
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