- InChI
- InChI=1S/C15H22N2O3/c1-20-14(18)10-6-3-7-11-16-15(19)17-12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H2,16,17,19)
- InChI Key
- LVPSBDGKJIEFEL-UHFFFAOYSA-N
- Formula
- C15H22N2O3
- SMILES
- COC(=O)CCCCCNC(=O)NCc1ccccc1
- Molecular Weight1
- 278.35
- CAS
- 92700-37-3
- 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 | 0.8428 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.219 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Tboil | 619.50 | K | Relay (1.0) Calculated Property |
| Tc | 872.31 | K | Relay (1.0) Calculated Property |
| Tfus | 354.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.817 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.49; 746.57] | J/mol×K | [799.78; 1006.10] | 
|
| Cp,gas | 677.49 | J/mol×K | 799.78 | Joback Calculated Property |
| Cp,gas | 691.37 | J/mol×K | 834.17 | Joback Calculated Property |
| Cp,gas | 704.26 | J/mol×K | 868.55 | Joback Calculated Property |
| Cp,gas | 716.19 | J/mol×K | 902.94 | Joback Calculated Property |
| Cp,gas | 727.19 | J/mol×K | 937.33 | Joback Calculated Property |
| Cp,gas | 737.31 | J/mol×K | 971.71 | Joback Calculated Property |
| Cp,gas | 746.57 | J/mol×K | 1006.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Benzyl-3-(5-carbomethoxyamyl) urea.
Sources
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