- InChI
- InChI=1S/C8H12F3NO3/c1-2-3-4-15-6(13)5-12-7(14)8(9,10)11/h2-5H2,1H3,(H,12,14)
- InChI Key
- ZTNMNXKYGGHKLS-UHFFFAOYSA-N
- Formula
- C8H12F3NO3
- SMILES
- CCCCOC(=O)CNC(=O)C(F)(F)F
- Molecular Weight1
- 227.18
- CAS
- 764-16-9
- Other Names
-
- Gly, butyl ester, TFA
- Gly TFA Bu
- 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° | -838.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1109.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.99 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 1.008 | Crippen Calculated Property | |
| McVol | 147.880 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Inp | 1173.00 | NIST | |
| Tboil | 557.35 | K | Joback Calculated Property |
| Tc | 729.83 | K | Joback Calculated Property |
| Tfus | 358.86 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.67; 431.34] | J/mol×K | [557.35; 729.83] | 
|
| Cp,gas | 373.67 | J/mol×K | 557.35 | Joback Calculated Property |
| Cp,gas | 384.63 | J/mol×K | 586.10 | Joback Calculated Property |
| Cp,gas | 395.03 | J/mol×K | 614.84 | Joback Calculated Property |
| Cp,gas | 404.88 | J/mol×K | 643.59 | Joback Calculated Property |
| Cp,gas | 414.21 | J/mol×K | 672.33 | Joback Calculated Property |
| Cp,gas | 423.03 | J/mol×K | 701.08 | Joback Calculated Property |
| Cp,gas | 431.34 | J/mol×K | 729.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, N-(trifluoroacetyl)-, butyl ester.
Sources
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