- InChI
- InChI=1S/C3H6N2O2/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
- InChI Key
- GKRZNOGGALENQJ-UHFFFAOYSA-N
- Formula
- C3H6N2O2
- SMILES
- CC(=O)NC(N)=O
- Molecular Weight1
- 102.09
- CAS
- 591-07-1
- Other Names
-
- 1-Acetylurea
- Acetic acid, ureide
- Acetylcarbamide
- Acetylurea
- Monoacetylurea
- N-Acetylurea
- Urea, acetyl-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | -1493.30 ± 0.30 | kJ/mol | NIST |
| ΔfG° | -127.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.70 ± 0.90 | kJ/mol | NIST |
| ΔfH°solid | -544.74 ± 0.55 | kJ/mol | NIST |
| ΔfusH° | 17.02 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [103.05; 103.10] | kJ/mol |
|
| ΔsubH° | 103.05 ± 0.67 | kJ/mol | NIST |
| ΔsubH° | 103.10 ± 0.70 | kJ/mol | NIST |
| ΔsubH° | 103.10 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 52.84 | kJ/mol | Joback Calculated Property |
| IE | 10.30 | eV | NIST |
| log10WS | -0.90 | Aq. Sol... | |
| logPoct/wat | -0.799 | Crippen Calculated Property | |
| McVol | 76.230 | ml/mol | McGowan Calculated Property |
| Pc | 5827.17 | kPa | Joback Calculated Property |
| Tboil | 498.48 | K | Joback Calculated Property |
| Tc | 709.93 | K | Joback Calculated Property |
| Tfus | 359.35 | K | Joback Calculated Property |
| Vc | 0.280 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.31; 195.70] | J/mol×K | [498.48; 709.93] |
|
| Cp,gas | 160.31 | J/mol×K | 498.48 | Joback Calculated Property |
| Cp,gas | 167.11 | J/mol×K | 533.72 | Joback Calculated Property |
| Cp,gas | 173.54 | J/mol×K | 568.96 | Joback Calculated Property |
| Cp,gas | 179.61 | J/mol×K | 604.20 | Joback Calculated Property |
| Cp,gas | 185.32 | J/mol×K | 639.44 | Joback Calculated Property |
| Cp,gas | 190.68 | J/mol×K | 674.69 | Joback Calculated Property |
| Cp,gas | 195.70 | J/mol×K | 709.93 | Joback Calculated Property |
| ΔsubH | 102.40 ± 0.70 | kJ/mol | 383.50 | NIST |
Similar Compounds
Find more compounds similar to Acetamide, N-(aminocarbonyl)-.
Sources
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