- InChI
- InChI=1S/C9H13F3N2O4/c1-4(2)18-7(16)5(3-6(13)15)14-8(17)9(10,11)12/h4-5H,3H2,1-2H3,(H2,13,15)(H,14,17)
- InChI Key
- UGWVCQFPDLOFQH-UHFFFAOYSA-N
- Formula
- C9H13F3N2O4
- SMILES
-
CC(C)OC(=O)C(CC(N)=O)NC(=O)C(F
)(F)F - Molecular Weight1
- 270.21
- 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° | -897.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1219.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.83 | kJ/mol | Joback Calculated Property |
| log10WS | -1.51 | Crippen Calculated Property | |
| logPoct/wat | -0.139 | Crippen Calculated Property | |
| McVol | 173.520 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Inp | 1379.00 | NIST | |
| Tboil | 705.75 | K | Joback Calculated Property |
| Tc | 898.90 | K | Joback Calculated Property |
| Tfus | 473.32 | K | Joback Calculated Property |
| Vc | 0.670 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.24; 547.37] | J/mol×K | [705.75; 898.90] | 
|
| Cp,gas | 495.24 | J/mol×K | 705.75 | Joback Calculated Property |
| Cp,gas | 505.63 | J/mol×K | 737.94 | Joback Calculated Property |
| Cp,gas | 515.31 | J/mol×K | 770.13 | Joback Calculated Property |
| Cp,gas | 524.30 | J/mol×K | 802.33 | Joback Calculated Property |
| Cp,gas | 532.63 | J/mol×K | 834.52 | Joback Calculated Property |
| Cp,gas | 540.31 | J/mol×K | 866.71 | Joback Calculated Property |
| Cp,gas | 547.37 | J/mol×K | 898.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Asparagine, N-trifluoroacetyl, 1-methylethyl ester.
Sources
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