- InChI
- InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)
- InChI Key
- VPVSTMAPERLKKM-UHFFFAOYSA-N
- Formula
- C4H6N4O2
- SMILES
- O=C1NC2NC(=O)NC2N1
- Molecular Weight1
- 142.12
- CAS
- 496-46-8
- Other Names
-
- Acetyleneurea
- Acetylene diurein
- Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-
- Acetylene carbamide
- Acetylenediurea
- Acetylenediureine
- Diurea glyoxalate
- Glyoxalbiuret
- Glyoxaldiureine
- Glyoxaldiurene
- Tetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
- Tetrahydroimidaz(d)imidazole-2,5-(1H,3H)-dione
- NSC 2765
- perhydroimidazo[4,5-d]imidazole-2,5-dione
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -1938.70 ± 1.90 | kJ/mol | NIST |
| ΔfG° | 185.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -116.77 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -492.80 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 35.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.19 | kJ/mol | Joback Calculated Property |
| log10WS | -0.76 | Crippen Calculated Property | |
| logPoct/wat | -1.736 | Crippen Calculated Property | |
| McVol | 88.560 | ml/mol | McGowan Calculated Property |
| Pc | 7943.54 | kPa | Joback Calculated Property |
| Tboil | 642.78 | K | Joback Calculated Property |
| Tc | 925.14 | K | Joback Calculated Property |
| Tfus | 720.24 | K | Joback Calculated Property |
| Vc | 0.320 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.25; 301.93] | J/mol×K | [642.78; 925.14] | 
|
| Cp,gas | 236.25 | J/mol×K | 642.78 | Joback Calculated Property |
| Cp,gas | 249.67 | J/mol×K | 689.84 | Joback Calculated Property |
| Cp,gas | 262.24 | J/mol×K | 736.90 | Joback Calculated Property |
| Cp,gas | 273.87 | J/mol×K | 783.96 | Joback Calculated Property |
| Cp,gas | 284.44 | J/mol×K | 831.02 | Joback Calculated Property |
| Cp,gas | 293.83 | J/mol×K | 878.08 | Joback Calculated Property |
| Cp,gas | 301.93 | J/mol×K | 925.14 | Joback Calculated Property |
Similar Compounds
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)
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