- InChI
- InChI=1S/C15H24F3NO5/c1-3-5-9-23-12(20)8-7-11(13(21)24-10-6-4-2)19-14(22)15(16,17)18/h11H,3-10H2,1-2H3,(H,19,22)/t11-/m1/s1
- InChI Key
- YVLATHFLIIDMDU-LLVKDONJSA-N
- Formula
- C15H24F3NO5
- SMILES
-
CCCCOC(=O)CCC(NC(=O)C(F)(F)F)C
(=O)OCCCC - Molecular Weight1
- 355.35
- CAS
- 816-59-1
- Other Names
-
- Glutamic acid, N-(trifluoroacetyl)-, dibutyl ester, L-
- Glu, butyl ester, TFA
- Glu 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° | -1015.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1504.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.500 | Crippen Calculated Property | |
| McVol | 253.950 | ml/mol | McGowan Calculated Property |
| Pc | 1481.57 | kPa | Joback Calculated Property |
| Inp | 1807.00 | NIST | |
| Tboil | 793.36 | K | Joback Calculated Property |
| Tc | 977.09 | K | Joback Calculated Property |
| Tfus | 494.91 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [782.19; 850.83] | J/mol×K | [793.36; 977.09] | 
|
| Cp,gas | 782.19 | J/mol×K | 793.36 | Joback Calculated Property |
| Cp,gas | 795.75 | J/mol×K | 823.98 | Joback Calculated Property |
| Cp,gas | 808.43 | J/mol×K | 854.60 | Joback Calculated Property |
| Cp,gas | 820.25 | J/mol×K | 885.22 | Joback Calculated Property |
| Cp,gas | 831.25 | J/mol×K | 915.85 | Joback Calculated Property |
| Cp,gas | 841.43 | J/mol×K | 946.47 | Joback Calculated Property |
| Cp,gas | 850.83 | J/mol×K | 977.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Glutamic acid, N-(trifluoroacetyl)-, dibutyl ester.
Sources
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