- InChI
- InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)
- InChI Key
- ISOLMABRZPQKOV-UHFFFAOYSA-N
- Formula
- C9H15NO5
- SMILES
- CCOC(=O)C(NC(C)=O)C(=O)OCC
- Molecular Weight1
- 217.22
- CAS
- 1068-90-2
- Other Names
-
- (Acetylamino)malonic acid diethyl ester
- (Acetylamino)propanedioic acid diethyl ester
- 2-(Acetylamino)propanedioic acid diethyl ester
- Acetamidomalonic acid diethyl ester
- Acetaminomalonic acid diethyl ester
- Diethyl 2-acetamidomalonate
- Diethyl N-acetylaminomalonate
- Diethyl a-(acetylamino)malonate
- Diethyl acetamidomalonate
- Diethyl acetaminomalonate
- Diethyl acetylaminomalonate
- Diethylester kyseliny acetylaminomalonove
- Ethyl acetamidomalonate
- Malonic acid, acetamido-, diethyl ester
- NSC 7645
- Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.6415 | Relay (1.0) Calculated Property | |
| ΔfG° | -484.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1007.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.383 | Crippen Calculated Property | |
| McVol | 164.100 | ml/mol | McGowan Calculated Property |
| Pc | 2752.67 | kPa | Joback Calculated Property |
| Tboil | 542.52 | K | Relay (1.0) Calculated Property |
| Tc | 717.92 | K | Relay (1.0) Calculated Property |
| Tfus | 320.72 | K | Relay (1.0) Calculated Property |
| Ttriple | 368.72 | K | Heat Capacity and Thermodynamic Property Studies of Diethyl Acetamidomalonate (C9H15NO5) |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.44; 495.32] | J/mol×K | [661.50; 855.57] | 
|
| Cp,gas | 434.44 | J/mol×K | 661.50 | Joback Calculated Property |
| Cp,gas | 446.19 | J/mol×K | 693.85 | Joback Calculated Property |
| Cp,gas | 457.31 | J/mol×K | 726.19 | Joback Calculated Property |
| Cp,gas | 467.79 | J/mol×K | 758.54 | Joback Calculated Property |
| Cp,gas | 477.63 | J/mol×K | 790.88 | Joback Calculated Property |
| Cp,gas | 486.80 | J/mol×K | 823.23 | Joback Calculated Property |
| Cp,gas | 495.32 | J/mol×K | 855.57 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 458.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Propanedioic acid, (acetylamino)-, diethyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Heat Capacity and Thermodynamic Property Studies of Diethyl Acetamidomalonate (C9H15NO5)
- Joback Method
- McGowan Method
- NIST Webbook
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