- 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
- CAS
- 6629-04-5
- 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).
- 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).
- 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° | -140.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.77 | kJ/mol | Joback Calculated Property |
| log10WS | -1.01 | Crippen Calculated Property | |
| logPoct/wat | 0.173 | Crippen Calculated Property | |
| McVol | 115.770 | ml/mol | McGowan Calculated Property |
| Pc | 3472.45 | kPa | Joback Calculated Property |
| Tboil | 619.09 | K | Joback Calculated Property |
| Tc | 825.58 | K | Joback Calculated Property |
| Tfus | 397.12 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.84; 315.98] | J/mol×K | [619.09; 825.58] | 
|
| Cp,gas | 273.84 | J/mol×K | 619.09 | Joback Calculated Property |
| Cp,gas | 281.99 | J/mol×K | 653.51 | Joback Calculated Property |
| Cp,gas | 289.69 | J/mol×K | 687.92 | Joback Calculated Property |
| Cp,gas | 296.94 | J/mol×K | 722.34 | Joback Calculated Property |
| Cp,gas | 303.74 | J/mol×K | 756.75 | Joback Calculated Property |
| Cp,gas | 310.09 | J/mol×K | 791.17 | Joback Calculated Property |
| Cp,gas | 315.98 | J/mol×K | 825.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, (cyanoacetyl)-, ethyl ester.
Sources
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