- InChI
- InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)
- InChI Key
- QJGRPCPCQQPZLZ-UHFFFAOYSA-N
- Formula
- C4H5N3O2
- SMILES
- N#CCC(=O)NC(N)=O
- Molecular Weight1
- 127.10
- CAS
- 1448-98-2
- Other Names
-
- 2-Cyanoacetylurea
- Acetamide, N-(aminocarbonyl)-2-cyano-
- Urea, (cyanoacetyl)-
- 1-(2-Cyanoacetyl)urea
- N-carbamoyl-2-cyanoacetamide
- 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).
- 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 | 0.6903 | Relay (1.0) Calculated Property | |
| ΔfG° | 13.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.905 | Crippen Calculated Property | |
| McVol | 91.700 | ml/mol | McGowan Calculated Property |
| Pc | 4883.38 | kPa | Joback Calculated Property |
| Tboil | 550.21 | K | Relay (1.0) Calculated Property |
| Tc | 809.89 | K | Relay (1.0) Calculated Property |
| Tfus | 477.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.331 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.69; 240.05] | J/mol×K | [623.44; 847.02] | 
|
| Cp,gas | 209.69 | J/mol×K | 623.44 | Joback Calculated Property |
| Cp,gas | 215.76 | J/mol×K | 660.70 | Joback Calculated Property |
| Cp,gas | 221.42 | J/mol×K | 697.97 | Joback Calculated Property |
| Cp,gas | 226.66 | J/mol×K | 735.23 | Joback Calculated Property |
| Cp,gas | 231.51 | J/mol×K | 772.50 | Joback Calculated Property |
| Cp,gas | 235.97 | J/mol×K | 809.76 | Joback Calculated Property |
| Cp,gas | 240.05 | J/mol×K | 847.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetylurea.
Sources
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