- InChI
- InChI=1S/C10H17NO4/c1-5-14-9(12)8(7-11(3)4)10(13)15-6-2/h7H,5-6H2,1-4H3
- InChI Key
- XNSXXTKUKYWLAH-UHFFFAOYSA-N
- Formula
- C10H17NO4
- SMILES
- CCOC(=O)C(=CN(C)C)C(=O)OCC
- Molecular Weight1
- 215.25
- CAS
- 18856-68-3
- Other Names
-
- Propanedioic acid, [(dimethylamino)methylene]-, diethyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -723.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.558 | Crippen Calculated Property | |
| McVol | 172.320 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Tboil | 556.71 | K | Relay (1.0) Calculated Property |
| Tc | 700.47 | K | Relay (1.0) Calculated Property |
| Tfus | 293.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.95; 558.63] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.00520e+01 | |||
| Coefficient B | 9.88080e-01 | |||
| Coefficient C | -5.29700e-04 | |||
| Coefficient D | 8.02000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 251.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 306.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 355.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 399.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 437.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 471.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 499.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 523.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 543.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 558.63 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, dimethylaminomethylene-, diethyl ester.
Sources
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