- InChI
- InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
- InChI Key
- WJRBRSLFGCUECM-UHFFFAOYSA-N
- Formula
- C3H4N2O2
- SMILES
- O=C1CNC(=O)N1
- Molecular Weight1
- 100.08
- Other Names
-
- 2,4(3H,5H)-Imidazoledione
- 2-Imidazolin-4(or 5)-one, 2-hydroxy-
- Glycolylurea
- Imidazole-2,4(3H,5H)-dione
- hydantoin
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -1170.30 ± 0.76 | kJ/mol | NIST |
| ΔfH°gas | -317.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -581.90 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 14.59 | kJ/mol | Joback Calculated Property |
| IE | [9.90; 10.20] | eV |
|
| IE | 10.20 ± 0.05 | eV | NIST |
| IE | 9.90 | eV | NIST |
| log10WS | [-0.40; -0.40] |
|
|
| log10WS | -0.40 | Aq. Solubility Prediction | |
| log10WS | -0.40 | Estimated Solubility | |
| logPoct/wat | -1.174 | Crippen Calculated Property | |
| McVol | 65.370 | ml/mol | McGowan Calculated Property |
| Tfus | [494.15; 495.80] | K |
|
| Tfus | 495.80 | K | Experimental and computational study of the energetics of hydantoin and 2-thiohydantoin |
| Tfus | 494.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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,solid | 117.09 | J/mol×K | 298.15 | Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [80.59; 211.44] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.04400e+01 | |||
| Coefficient B | 8.36000e-02 | |||
| Coefficient C | 2.87000e-04 | |||
| Coefficient D | -1.99600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 80.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 97.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 114.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 132.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 149.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 166.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 181.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 194.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 204.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 211.44 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Imidazolidinedione.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Experimental and computational study of the energetics of hydantoin and 2-thiohydantoin
- Evaluation of sublimation enthalpy by thermogravimetry: Analysis of the diffusion effects in the case of methyl and phenyl substituted hydantoins
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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