- InChI
- InChI=1S/C10H16F3NO3/c1-4-5-6-17-8(16)9(2,3)14-7(15)10(11,12)13/h4-6H2,1-3H3,(H,14,15)
- InChI Key
- YWDQJPHFSPNTCF-UHFFFAOYSA-N
- Formula
- C10H16F3NO3
- SMILES
-
CCCCOC(=O)C(C)(C)NC(=O)C(F)(F)
F - Molecular Weight1
- 255.23
- CAS
- 34815-07-1
- Other Names
-
- Butyl N-(trifluoroacetyl)-«alpha»-aminoisobutyrate
- Butyl 2-methyl-2-[(trifluoroacetyl)amino]propanoate
- Propanoic acid, 2-amino-2-methyl, butyl ester, TFA
- 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° | -818.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1159.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 1.787 | Crippen Calculated Property | |
| McVol | 176.060 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Inp | 1235.00 | NIST | |
| Tboil | 599.88 | K | Joback Calculated Property |
| Tc | 778.26 | K | Joback Calculated Property |
| Tfus | 383.82 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.54; 538.95] | J/mol×K | [599.88; 778.26] | 
|
| Cp,gas | 472.54 | J/mol×K | 599.88 | Joback Calculated Property |
| Cp,gas | 485.38 | J/mol×K | 629.61 | Joback Calculated Property |
| Cp,gas | 497.46 | J/mol×K | 659.34 | Joback Calculated Property |
| Cp,gas | 508.83 | J/mol×K | 689.07 | Joback Calculated Property |
| Cp,gas | 519.51 | J/mol×K | 718.80 | Joback Calculated Property |
| Cp,gas | 529.54 | J/mol×K | 748.53 | Joback Calculated Property |
| Cp,gas | 538.95 | J/mol×K | 778.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alanine, 2-methyl-N-(trifluoroacetyl)-, butyl ester.
Sources
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