- InChI
- InChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)
- InChI Key
- TUMNHQRORINJKE-UHFFFAOYSA-N
- Formula
- C5H12N2O
- SMILES
- CCN(CC)C(N)=O
- Molecular Weight1
- 116.16
- CAS
- 634-95-7
- Other Names
-
- 1,1-diethylurea
- Asym-Diethylurea
- N,N-diethylurea
- urea, 1,1-diethyl-
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Psub : Sublimation pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- ΔsubS : Entropy of sublimation at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3310.32 ± 0.89 | kJ/mol | NIST |
| ΔfH°gas | -272.30 ± 1.60 | kJ/mol | NIST |
| ΔfH°solid | -372.20 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 18.52 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 95.70 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 60.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.407 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Tboil | 484.43 | K | Relay (1.0) Calculated Property |
| Tfus | [342.30; 348.43] | K |
|
| Tfus | 342.30 ± 0.40 | K | NIST |
| Tfus | 348.43 ± 0.02 | K | NIST |
| Tfus | 348.43 ± 0.02 | K | NIST |
| Ttriple | [348.00; 348.00] | K |
|
| Ttriple | 348.00 ± 0.00 | K | NIST |
| Ttriple | 348.00 ± 0.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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
Similar Compounds
Find more compounds similar to Urea, N,N-diethyl-.
Mixtures
Sources
- 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
- Crippen Method
- Hydration of urea and its derivatives - Volumetric and compressibility studies
- Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
- Hydrophobic-Hydrophilic Solvation of Variously Substituted N-Alkylureas in Aqueous Solution: A Calorimetric Study at a Temperature of 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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