- InChI
- InChI=1S/C16H26F3NO5/c1-3-5-10-24-13(21)9-7-8-12(14(22)25-11-6-4-2)20-15(23)16(17,18)19/h12H,3-11H2,1-2H3,(H,20,23)
- InChI Key
- NPYXALIPFYRYAQ-UHFFFAOYSA-N
- Formula
- C16H26F3NO5
- SMILES
-
CCCCOC(=O)CCCC(NC(=O)C(F)(F)F)
C(=O)OCCCC - Molecular Weight1
- 369.38
- Other Names
-
- Adipic acid, 2-amino, butyl ester, TFA
- 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 | 0.8893 | Relay (... Calculated Property | |
| ΔfG° | -1007.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1738.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 47.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.25 | kJ/mol | Relay (... Calculated Property |
| IE | 9.50 | eV | Relay (... Calculated Property |
| log10WS | -3.20 | Relay (... Calculated Property | |
| logPoct/wat | 2.890 | Crippen Calculated Property | |
| McVol | 268.040 | ml/mol | McGowan Calculated Property |
| Pc | 1377.86 | kPa | Joback Calculated Property |
| Inp | 1868.00 | NIST | |
| Tboil | 579.42 | K | Relay (... Calculated Property |
| Tc | 726.35 | K | Relay (... Calculated Property |
| Tfus | 314.19 | K | Relay (... Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.26; 909.68] | J/mol×K | [816.24; 1002.46] | 
|
| Cp,gas | 839.26 | J/mol×K | 816.24 | Joback Calculated Property |
| Cp,gas | 853.24 | J/mol×K | 847.28 | Joback Calculated Property |
| Cp,gas | 866.29 | J/mol×K | 878.31 | Joback Calculated Property |
| Cp,gas | 878.43 | J/mol×K | 909.35 | Joback Calculated Property |
| Cp,gas | 889.69 | J/mol×K | 940.39 | Joback Calculated Property |
| Cp,gas | 900.10 | J/mol×K | 971.42 | Joback Calculated Property |
| Cp,gas | 909.68 | J/mol×K | 1002.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Aminoadipic acid, N-trifluoroacetyl-, di-n-butyl ester.
Sources
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