- InChI
- InChI=1S/C14H23NO7/c1-7(2)20-13(18)11(15-9(5)16)12(22-10(6)17)14(19)21-8(3)4/h7-8,11-12H,1-6H3,(H,15,16)/t11-,12-/m1/s1
- InChI Key
- ASCXPNFSNANMFN-VXGBXAGGSA-N
- Formula
- C14H23NO7
- SMILES
-
CC(=O)NC(C(=O)OC(C)C)C(OC(C)=O
)C(=O)OC(C)C - Molecular Weight1
- 317.33
- 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° | -684.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1146.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.86 | kJ/mol | Joback Calculated Property |
| log10WS | -1.68 | Crippen Calculated Property | |
| logPoct/wat | 0.326 | Crippen Calculated Property | |
| McVol | 241.990 | ml/mol | McGowan Calculated Property |
| Pc | 1864.33 | kPa | Joback Calculated Property |
| Inp | 1352.00 | NIST | |
| Tboil | 850.87 | K | Joback Calculated Property |
| Tc | 1054.72 | K | Joback Calculated Property |
| Tfus | 506.61 | K | Joback Calculated Property |
| Vc | 0.908 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.50; 803.81] | J/mol×K | [850.87; 1054.72] | 
|
| Cp,gas | 745.50 | J/mol×K | 850.87 | Joback Calculated Property |
| Cp,gas | 758.07 | J/mol×K | 884.84 | Joback Calculated Property |
| Cp,gas | 769.51 | J/mol×K | 918.82 | Joback Calculated Property |
| Cp,gas | 779.81 | J/mol×K | 952.79 | Joback Calculated Property |
| Cp,gas | 788.97 | J/mol×K | 986.77 | Joback Calculated Property |
| Cp,gas | 796.97 | J/mol×K | 1020.74 | Joback Calculated Property |
| Cp,gas | 803.81 | J/mol×K | 1054.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hydroxyaspartic acid, trifluoroacetyl-isopropyl ester.
Sources
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