- InChI
- InChI=1S/C21H28N2O/c1-3-5-12-18(4-2)17-22-21(24)23(19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3,(H,22,24)
- InChI Key
- GAOSECHRLOARAN-UHFFFAOYSA-N
- Formula
- C21H28N2O
- SMILES
-
CCCCC(CC)CN=C(O)N(c1ccccc1)c1c
cccc1 - Molecular Weight1
- 324.46
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.9823 | Relay (1.0) Calculated Property | |
| ΔfG° | 343.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -136.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.955 | Crippen Calculated Property | |
| McVol | 280.760 | ml/mol | McGowan Calculated Property |
| Pc | 1509.33 | kPa | Joback Calculated Property |
| Inp | [2576.00; 2576.00] |
|
|
| Inp | 2576.00 | NIST | |
| Inp | 2576.00 | NIST | |
| Tboil | 655.62 | K | Relay (1.0) Calculated Property |
| Tc | 952.24 | K | Relay (1.0) Calculated Property |
| Tfus | 378.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.982 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Urea, N,N-diphenyl-N'-(2-ethylhexyl)-.
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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