- InChI
- InChI=1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3
- InChI Key
- YJJLOESDBPRZIP-UHFFFAOYSA-N
- Formula
- C10H15NO4
- SMILES
- CCOC(=O)C(CCC#N)C(=O)OCC
- Molecular Weight1
- 213.23
- Other Names
-
- Diethyl (2-cyanoethyl)malonate
- Propanedioic acid, (2-cyanoethyl)-, diethyl ester
- Diethyl 2-cyanomalonate
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.6545 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -700.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.62 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.033 | Crippen Calculated Property | |
| McVol | 168.020 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Tboil | 556.14 | K | Relay (1.0) Calculated Property |
| Tc | 742.18 | K | Relay (1.0) Calculated Property |
| Tfus | 278.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.614 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.10; 497.44] | J/mol×K | [646.48; 839.66] | 
|
| Cp,gas | 437.10 | J/mol×K | 646.48 | Joback Calculated Property |
| Cp,gas | 448.87 | J/mol×K | 678.68 | Joback Calculated Property |
| Cp,gas | 459.97 | J/mol×K | 710.87 | Joback Calculated Property |
| Cp,gas | 470.37 | J/mol×K | 743.07 | Joback Calculated Property |
| Cp,gas | 480.09 | J/mol×K | 775.26 | Joback Calculated Property |
| Cp,gas | 489.11 | J/mol×K | 807.46 | Joback Calculated Property |
| Cp,gas | 497.44 | J/mol×K | 839.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 388.70 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to DIETHYL (2-CYANOETHYL)MALONATE.
Sources
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