- InChI
- InChI=1S/C13H11N3O3/c17-13(14-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)16(18)19/h1-9H,(H2,14,15,17)
- InChI Key
- QHHPMKKJBURYIQ-UHFFFAOYSA-N
- Formula
- C13H11N3O3
- SMILES
-
O=C(Nc1ccccc1)Nc1ccc([N+](=O)[
O-])cc1 - Molecular Weight1
- 257.24
- CAS
- 1932-32-7
- Other Names
-
- Urea, N-(4-nitrophenyl)-N'-phenyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 359.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 133.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.239 | Crippen Calculated Property | |
| McVol | 185.460 | ml/mol | McGowan Calculated Property |
| Pc | 3388.08 | kPa | Joback Calculated Property |
| Tboil | 861.23 | K | Joback Calculated Property |
| Tc | 1124.12 | K | Joback Calculated Property |
| Tfus | 600.49 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.25; 577.86] | J/mol×K | [861.23; 1124.12] | 
|
| Cp,gas | 529.25 | J/mol×K | 861.23 | Joback Calculated Property |
| Cp,gas | 539.79 | J/mol×K | 905.05 | Joback Calculated Property |
| Cp,gas | 549.21 | J/mol×K | 948.86 | Joback Calculated Property |
| Cp,gas | 557.63 | J/mol×K | 992.68 | Joback Calculated Property |
| Cp,gas | 565.15 | J/mol×K | 1036.49 | Joback Calculated Property |
| Cp,gas | 571.86 | J/mol×K | 1080.31 | Joback Calculated Property |
| Cp,gas | 577.86 | J/mol×K | 1124.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(4-Nitrophenyl)-N'-phenyl-urea.
Sources
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