- 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).
- 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).
- 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).
- 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).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | -3310.32 ± 0.89 | kJ/mol | NIST |
| ΔfG° | 39.53 | kJ/mol | Joback Calculated Property |
| 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° | 46.15 | kJ/mol | Joback Calculated Property |
| log10WS | -0.67 | Crippen Calculated Property | |
| logPoct/wat | 0.407 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 4005.77 | kPa | Joback Calculated Property |
| Tboil | 452.64 | K | Joback Calculated Property |
| Tc | 643.84 | K | Joback Calculated Property |
| Tfus | [342.30; 348.43] | K |
|
| Tfus | 342.30 ± 0.40 | K | NIST |
| Tfus | 348.43 ± 0.02 | K | NIST |
| Ttriple | 348.00 ± 0.00 | K | NIST |
| Vc | 0.368 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.82; 274.99] | J/mol×K | [452.64; 643.84] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 220 230 240 250 260 270 280 450 500 550 600 | ||||
| Cp,gas | 218.82 | J/mol×K | 452.64 | Joback Calculated Property |
| Cp,gas | 229.43 | J/mol×K | 484.51 | Joback Calculated Property |
| Cp,gas | 239.52 | J/mol×K | 516.37 | Joback Calculated Property |
| Cp,gas | 249.11 | J/mol×K | 548.24 | Joback Calculated Property |
| Cp,gas | 258.20 | J/mol×K | 580.10 | Joback Calculated Property |
| Cp,gas | 266.82 | J/mol×K | 611.97 | Joback Calculated Property |
| Cp,gas | 274.99 | J/mol×K | 643.84 | Joback Calculated Property |
| Cp,solid | 185.20 | J/mol×K | 300.00 | NIST |
| ΔfusH | [16.78; 16.78] | kJ/mol | [342.30; 342.30] |
|
| ΔfusH | 16.78 | kJ/mol | 342.30 | NIST |
| ΔfusH | 16.78 | kJ/mol | 342.30 | NIST |
| ΔsubH | [94.70; 99.90] | kJ/mol | [320.00; 350.00] |
|
|
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 95 96 97 98 99 100 320 330 340 350 | ||||
| ΔsubH | 99.90 ± 1.10 | kJ/mol | 320.00 | NIST |
| ΔsubH | 96.80 | kJ/mol | 326.00 | NIST |
| ΔsubH | 95.50 ± 0.80 | kJ/mol | 326.00 | NIST |
| ΔsubH | 94.90 ± 0.80 | kJ/mol | 326.00 | NIST |
| ΔsubH | 94.70 ± 0.20 | kJ/mol | 350.00 | NIST |
| Psub | [6.20e-04; 0.01] | kPa | [312.20; 339.10] |
|
|
T(K) Sublimation pressure (kPa) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 0.01 0.01 320 330 | ||||
| Psub | 6.20e-04 | kPa | 312.20 | Measure... |
| Psub | 6.80e-04 | kPa | 313.10 | Measure... |
| Psub | 8.80e-04 | kPa | 315.20 | Measure... |
| Psub | 1.06e-03 | kPa | 316.70 | Measure... |
| Psub | 1.50e-03 | kPa | 320.10 | Measure... |
| Psub | 1.50e-03 | kPa | 320.20 | Measure... |
| Psub | 2.28e-03 | kPa | 324.20 | Measure... |
| Psub | 2.90e-03 | kPa | 326.20 | Measure... |
| Psub | 3.53e-03 | kPa | 328.20 | Measure... |
| Psub | 3.89e-03 | kPa | 329.20 | Measure... |
| Psub | 4.53e-03 | kPa | 330.20 | Measure... |
| Psub | 6.10e-03 | kPa | 333.00 | Measure... |
| Psub | 8.94e-03 | kPa | 336.70 | Measure... |
| Psub | 0.01 | kPa | 339.10 | Measure... |
| ΔfusS | 49.00 | J/mol×K | 342.30 | NIST |
| ΔsubS | 296.90 | J/mol×K | 326.00 | NIST |
Similar Compounds
Find more compounds similar to Urea, N,N-diethyl-.
Mixtures
Sources
- 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
- Joback Method
- McGowan Method
- NIST Webbook
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