- InChI
- InChI=1S/C9H14F3NO3/c1-3-4-5-16-7(14)6(2)13-8(15)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,15)
- InChI Key
- MLQQWGSDMWLMKV-UHFFFAOYSA-N
- Formula
- C9H14F3NO3
- SMILES
- CCCCOC(=O)C(C)NC(=O)C(F)(F)F
- Molecular Weight1
- 241.21
- CAS
- 2505-26-2
- Other Names
-
- Alanine, N-(trifluoroacetyl)-, butyl ester, L-
- Butyl N-(trifluoroacetyl)alaninate
- Ala, butyl ester, TFA
- Ala 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 | 0.5583 | Relay (1.0) Calculated Property | |
| ΔfG° | -832.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1284.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.397 | Crippen Calculated Property | |
| McVol | 161.970 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Inp | 1159.00 | NIST | |
| Tboil | 467.49 | K | Relay (1.0) Calculated Property |
| Tc | 623.40 | K | Relay (1.0) Calculated Property |
| Tfus | 307.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.06; 483.63] | J/mol×K | [579.79; 754.06] | 
|
| Cp,gas | 421.06 | J/mol×K | 579.79 | Joback Calculated Property |
| Cp,gas | 432.98 | J/mol×K | 608.84 | Joback Calculated Property |
| Cp,gas | 444.28 | J/mol×K | 637.88 | Joback Calculated Property |
| Cp,gas | 454.97 | J/mol×K | 666.93 | Joback Calculated Property |
| Cp,gas | 465.09 | J/mol×K | 695.97 | Joback Calculated Property |
| Cp,gas | 474.63 | J/mol×K | 725.02 | Joback Calculated Property |
| Cp,gas | 483.63 | J/mol×K | 754.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Alanine, N-(trifluoroacetyl)-, butyl ester.
Sources
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