- InChI
- InChI=1S/C16H18N2O/c1-2-13-17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,17,19)
- InChI Key
- AQSVPWZCACWAPT-UHFFFAOYSA-N
- Formula
- C16H18N2O
- SMILES
- CCCNC(=O)N(c1ccccc1)c1ccccc1
- Molecular Weight1
- 254.33
- ω : Acentric Factor.
- 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).
- 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 | 0.7143 | Relay (1.0) Calculated Property | |
| ΔfG° | 379.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -10.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.944 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | [2179.00; 2179.00] |
|
|
| Inp | 2179.00 | NIST | |
| Inp | 2179.00 | NIST | |
| Tboil | 617.94 | K | Relay (1.0) Calculated Property |
| Tc | 927.82 | K | Relay (1.0) Calculated Property |
| Tfus | 372.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.44; 663.11] | J/mol×K | [735.32; 965.88] |
|
| Cp,gas | 585.44 | J/mol×K | 735.32 | Joback Calculated Property |
| Cp,gas | 601.23 | J/mol×K | 773.75 | Joback Calculated Property |
| Cp,gas | 615.76 | J/mol×K | 812.17 | Joback Calculated Property |
| Cp,gas | 629.12 | J/mol×K | 850.60 | Joback Calculated Property |
| Cp,gas | 641.41 | J/mol×K | 889.02 | Joback Calculated Property |
| Cp,gas | 652.70 | J/mol×K | 927.45 | Joback Calculated Property |
| Cp,gas | 663.11 | J/mol×K | 965.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Urea, N,N-diphenyl-N'-propyl-.
Sources
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