- InChI
- InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)
- InChI Key
- HSOGVWWWGVFXGF-UHFFFAOYSA-N
- Formula
- C6H8N2O3
- SMILES
- CCOC(=O)NC(=O)CC#N
- Molecular Weight1
- 156.14
- Other Names
-
- Cyanoacetylurethan
- Ethyl cyanacetylcarbamate
- Ethyl cyanoacetylcarbamate
- N-Cyanoacetylurethane
- 2-Cyanoacetylurethane
- N-Cyanoacetyl ethyl carbamate
- 2-Cyanoacetylcarbamic acid, ethyl 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -477.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.173 | Crippen Calculated Property | |
| McVol | 115.770 | ml/mol | McGowan Calculated Property |
| Tboil | 538.29 | K | Relay (1.0) Calculated Property |
| Tfus | 398.46 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.65; 315.22] | J/mol×K | [601.22; 805.53] | 
|
| Cp,gas | 272.65 | J/mol×K | 601.22 | Joback Calculated Property |
| Cp,gas | 280.97 | J/mol×K | 635.27 | Joback Calculated Property |
| Cp,gas | 288.79 | J/mol×K | 669.32 | Joback Calculated Property |
| Cp,gas | 296.13 | J/mol×K | 703.37 | Joback Calculated Property |
| Cp,gas | 302.98 | J/mol×K | 737.42 | Joback Calculated Property |
| Cp,gas | 309.35 | J/mol×K | 771.48 | Joback Calculated Property |
| Cp,gas | 315.22 | J/mol×K | 805.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, (cyanoacetyl)-, ethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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