- InChI
- InChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
- InChI Key
- IMFYAZJNDOZIFV-UHFFFAOYSA-N
- Formula
- C14H14N2O
- SMILES
- CNC(=O)N(c1ccccc1)c1ccccc1
- Molecular Weight1
- 226.27
- CAS
- 13114-72-2
- Other Names
-
- Urea, N'-methyl-N,N-diphenyl-
- N,N-Diphenyl-N'-methylurea
- 3-methyl-1,1-diphenylurea
- 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 | 0.6493 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-7465.10; -7403.20] | kJ/mol |
|
| ΔcH°solid | -7465.10 | kJ/mol | NIST |
| ΔcH°solid | -7403.20 ± 7.10 | kJ/mol | NIST |
| ΔfG° | 363.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 30.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -106.80 ± 7.10 | kJ/mol | NIST |
| ΔfusH° | 29.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.164 | Crippen Calculated Property | |
| McVol | 182.130 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Tboil | 599.10 | K | Relay (1.0) Calculated Property |
| Tc | 932.13 | K | Relay (1.0) Calculated Property |
| Tfus | 444.40 ± 0.00 | K | NIST |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.59; 553.32] | J/mol×K | [689.56; 929.25] |
|
| Cp,gas | 479.59 | J/mol×K | 689.56 | Joback Calculated Property |
| Cp,gas | 494.80 | J/mol×K | 729.51 | Joback Calculated Property |
| Cp,gas | 508.72 | J/mol×K | 769.46 | Joback Calculated Property |
| Cp,gas | 521.44 | J/mol×K | 809.41 | Joback Calculated Property |
| Cp,gas | 533.05 | J/mol×K | 849.36 | Joback Calculated Property |
| Cp,gas | 543.65 | J/mol×K | 889.30 | Joback Calculated Property |
| Cp,gas | 553.32 | J/mol×K | 929.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-3,3-diphenylurea.
Sources
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