- 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
- CAS
- 17216-62-5
- Other Names
-
- Diethyl (2-cyanoethyl)malonate
- Propanedioic acid, (2-cyanoethyl)-, diethyl ester
- Diethyl 2-cyanomalonate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -303.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.26 | kJ/mol | Joback Calculated Property |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 1.033 | Crippen Calculated Property | |
| McVol | 168.020 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Tboil | 682.42 | K | Joback Calculated Property |
| Tc | 879.91 | K | Joback Calculated Property |
| Tfus | 396.77 | K | Joback Calculated Property |
| Vc | 0.663 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.83; 502.88] | J/mol×K | [682.42; 879.91] | 
|
| Cp,gas | 443.83 | J/mol×K | 682.42 | Joback Calculated Property |
| Cp,gas | 455.26 | J/mol×K | 715.33 | Joback Calculated Property |
| Cp,gas | 466.06 | J/mol×K | 748.25 | Joback Calculated Property |
| Cp,gas | 476.23 | J/mol×K | 781.16 | Joback Calculated Property |
| Cp,gas | 485.76 | J/mol×K | 814.08 | Joback Calculated Property |
| Cp,gas | 494.65 | J/mol×K | 846.99 | Joback Calculated Property |
| Cp,gas | 502.88 | J/mol×K | 879.91 | 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-(2-cyanoethyl)-malonate.
Sources
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