- InChI
- InChI=1S/C8H10F3NO5/c1-2-17-6(15)4(3-5(13)14)12-7(16)8(9,10)11/h4H,2-3H2,1H3,(H,12,16)(H,13,14)
- InChI Key
- JHTXBKMSNPTYOR-UHFFFAOYSA-N
- Formula
- C8H10F3NO5
- SMILES
-
CCOC(=O)C(CC(=O)O)NC(=O)C(F)(F
)F - Molecular Weight1
- 257.16
- CAS
- 45203-86-9
- 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).
- 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° | -1106.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1379.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.03 | kJ/mol | Joback Calculated Property |
| log10WS | -0.87 | Crippen Calculated Property | |
| logPoct/wat | 0.071 | Crippen Calculated Property | |
| McVol | 155.320 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Tboil | 702.96 | K | Joback Calculated Property |
| Tc | 881.72 | K | Joback Calculated Property |
| Tfus | 454.61 | K | Joback Calculated Property |
| Vc | 0.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.65; 477.74] | J/mol×K | [702.96; 881.72] | 
|
| Cp,gas | 435.65 | J/mol×K | 702.96 | Joback Calculated Property |
| Cp,gas | 443.95 | J/mol×K | 732.75 | Joback Calculated Property |
| Cp,gas | 451.72 | J/mol×K | 762.55 | Joback Calculated Property |
| Cp,gas | 458.96 | J/mol×K | 792.34 | Joback Calculated Property |
| Cp,gas | 465.70 | J/mol×K | 822.13 | Joback Calculated Property |
| Cp,gas | 471.95 | J/mol×K | 851.92 | Joback Calculated Property |
| Cp,gas | 477.74 | J/mol×K | 881.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aspartic acid, n-(trifluoroacetyl)-, 1-ethyl ester.
Sources
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