- InChI
- InChI=1S/C28H26N4O2/c33-27(31(23-13-5-1-6-14-23)24-15-7-2-8-16-24)29-21-22-30-28(34)32(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2,(H,29,33)(H,30,34)
- InChI Key
- JMJOGHWYXVODDY-UHFFFAOYSA-N
- Formula
- C28H26N4O2
- SMILES
-
O=C(NCCNC(=O)N(c1ccccc1)c1cccc
c1)N(c1ccccc1)c1ccccc1 - Molecular Weight1
- 450.53
- CAS
- 6123-88-2
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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).
- 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 | 1.0444 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -14539.00 ± 15.00 | kJ/mol | NIST |
| ΔfG° | 777.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 128.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -195.00 ± 15.00 | kJ/mol | NIST |
| ΔfusH° | 63.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 151.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.082 | Crippen Calculated Property | |
| McVol | 353.400 | ml/mol | McGowan Calculated Property |
| Pc | 1687.95 | kPa | Joback Calculated Property |
| Tboil | 767.37 | K | Relay (1.0) Calculated Property |
| Tc | 1255.22 | K | Relay (1.0) Calculated Property |
| Tfus | 493.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.246 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1175.66; 1252.05] | J/mol×K | [1179.72; 1449.62] | 
|
| Cp,gas | 1175.66 | J/mol×K | 1179.72 | Joback Calculated Property |
| Cp,gas | 1188.14 | J/mol×K | 1224.70 | Joback Calculated Property |
| Cp,gas | 1200.36 | J/mol×K | 1269.69 | Joback Calculated Property |
| Cp,gas | 1212.59 | J/mol×K | 1314.67 | Joback Calculated Property |
| Cp,gas | 1225.10 | J/mol×K | 1359.65 | Joback Calculated Property |
| Cp,gas | 1238.16 | J/mol×K | 1404.64 | Joback Calculated Property |
| Cp,gas | 1252.05 | J/mol×K | 1449.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Ethylene bis(N',N,-diphenyl urea).
Sources
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