- InChI
- InChI=1S/C19H32N2O/c1-9-21(10-2)17(22)20-16-12-11-14(18(3,4)5)13-15(16)19(6,7)8/h11-13H,9-10H2,1-8H3,(H,20,22)
- InChI Key
- AJGLAMQKVBDIEA-UHFFFAOYSA-N
- Formula
- C19H32N2O
- SMILES
-
CCN(CC)C(=O)Nc1ccc(C(C)(C)C)cc
1C(C)(C)C - Molecular Weight1
- 304.48
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -375.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.84 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.155 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Tboil | 598.36 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.09; 941.82] | 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 | -7.31780e+01 | |||
| Coefficient B | 2.03476e+00 | |||
| Coefficient C | -1.39302e-03 | |||
| Coefficient D | 3.73260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 386.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 488.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 578.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 656.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 723.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 781.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 831.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 873.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 910.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 941.82 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Urea, 1-(2',4'-di-tert-butylphenyl)-3,3-diethyl-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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