- InChI
- InChI=1S/C11H18F3NO3/c1-4-5-6-18-9(16)8(7(2)3)15-10(17)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,17)
- InChI Key
- JYZZGZVAOFYMDY-UHFFFAOYSA-N
- Formula
- C11H18F3NO3
- SMILES
-
CCCCOC(=O)C(NC(=O)C(F)(F)F)C(C
)C - Molecular Weight1
- 269.26
- CAS
- 1478-96-2
- Other Names
-
- N-Trifluoroacetyl-n-butyl ester of valine
- Val, butyl ester, TFA
- Val 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 | 0.5925 | Relay (1.0) Calculated Property | |
| ΔfG° | -818.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1333.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.033 | Crippen Calculated Property | |
| McVol | 190.150 | ml/mol | McGowan Calculated Property |
| Pc | 1971.80 | kPa | Joback Calculated Property |
| Inp | 1280.00 | NIST | |
| Tboil | 481.38 | K | Relay (1.0) Calculated Property |
| Tc | 645.44 | K | Relay (1.0) Calculated Property |
| Tfus | 321.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.676 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.28; 590.29] | J/mol×K | [625.11; 800.08] | 
|
| Cp,gas | 520.28 | J/mol×K | 625.11 | Joback Calculated Property |
| Cp,gas | 533.65 | J/mol×K | 654.27 | Joback Calculated Property |
| Cp,gas | 546.31 | J/mol×K | 683.43 | Joback Calculated Property |
| Cp,gas | 558.29 | J/mol×K | 712.59 | Joback Calculated Property |
| Cp,gas | 569.59 | J/mol×K | 741.76 | Joback Calculated Property |
| Cp,gas | 580.25 | J/mol×K | 770.92 | Joback Calculated Property |
| Cp,gas | 590.29 | J/mol×K | 800.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(trifluoroacetyl)-, butyl ester.
Sources
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