- InChI
- InChI=1S/C14H22F3NO5/c1-3-5-7-22-11(19)9-10(12(20)23-8-6-4-2)18-13(21)14(15,16)17/h10H,3-9H2,1-2H3,(H,18,21)
- InChI Key
- AAAZDZBQEOVDCB-UHFFFAOYSA-N
- Formula
- C14H22F3NO5
- SMILES
-
CCCCOC(=O)CC(NC(=O)C(F)(F)F)C(
=O)OCCCC - Molecular Weight1
- 341.32
- CAS
- 2926-77-4
- Other Names
-
- Aspartic acid, N-(trifluoroacetyl)-, dibutyl ester, L-
- Asp, dibutyl ester, N-TFA
- Asp, 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° | -1024.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1483.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.12 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.110 | Crippen Calculated Property | |
| McVol | 239.860 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Inp | 1676.00 | NIST | |
| Tboil | 770.48 | K | Joback Calculated Property |
| Tc | 952.42 | K | Joback Calculated Property |
| Tfus | 483.64 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [726.04; 792.81] | J/mol×K | [770.48; 952.42] | 
|
| Cp,gas | 726.04 | J/mol×K | 770.48 | Joback Calculated Property |
| Cp,gas | 739.17 | J/mol×K | 800.80 | Joback Calculated Property |
| Cp,gas | 751.48 | J/mol×K | 831.13 | Joback Calculated Property |
| Cp,gas | 762.98 | J/mol×K | 861.45 | Joback Calculated Property |
| Cp,gas | 773.69 | J/mol×K | 891.77 | Joback Calculated Property |
| Cp,gas | 783.62 | J/mol×K | 922.09 | Joback Calculated Property |
| Cp,gas | 792.81 | J/mol×K | 952.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Aspartic acid, N-(trifluoroacetyl)-, dibutyl ester.
Sources
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