- InChI
- InChI=1S/C16H24N2O3/c1-4-21-15(19)14(10-12(2)3)18-16(20)17-11-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,17,18,20)
- InChI Key
- WMHZYIFTZXFFRZ-UHFFFAOYSA-N
- Formula
- C16H24N2O3
- SMILES
-
CCOC(=O)C(CC(C)C)NC(=O)NCc1ccc
cc1 - Molecular Weight1
- 292.37
- CAS
- 93142-97-3
- 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).
- 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 | 0.7568 | Relay (1.0) Calculated Property | |
| ΔfG° | 7.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.464 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1937.24 | kPa | Joback Calculated Property |
| Tboil | 608.24 | K | Relay (1.0) Calculated Property |
| Tc | 854.00 | K | Relay (1.0) Calculated Property |
| Tfus | 361.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.845 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.00; 806.25] | J/mol×K | [821.78; 1032.15] | 
|
| Cp,gas | 735.00 | J/mol×K | 821.78 | Joback Calculated Property |
| Cp,gas | 749.47 | J/mol×K | 856.84 | Joback Calculated Property |
| Cp,gas | 762.84 | J/mol×K | 891.90 | Joback Calculated Property |
| Cp,gas | 775.17 | J/mol×K | 926.96 | Joback Calculated Property |
| Cp,gas | 786.49 | J/mol×K | 962.02 | Joback Calculated Property |
| Cp,gas | 796.84 | J/mol×K | 997.09 | Joback Calculated Property |
| Cp,gas | 806.25 | J/mol×K | 1032.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Benzyl-3-(1-carbethoxy-3-methylbutyl) urea.
Sources
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