- InChI
- InChI=1S/C16H22N2O5/c1-3-22-14(19)10-13(15(20)23-4-2)18-16(21)17-11-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H2,17,18,21)
- InChI Key
- KYMIACLGFMZIJX-UHFFFAOYSA-N
- Formula
- C16H22N2O5
- SMILES
-
CCOC(=O)CC(NC(=O)NCc1ccccc1)C(
=O)OCC - Molecular Weight1
- 322.36
- CAS
- 97021-39-1
- 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 | 0.8424 | Relay (... Calculated Property | |
| ΔfG° | -224.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -864.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.61 | eV | Relay (... Calculated Property |
| log10WS | -2.79 | Relay (... Calculated Property | |
| logPoct/wat | 1.371 | Crippen Calculated Property | |
| McVol | 248.950 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Tboil | 624.95 | K | Relay (... Calculated Property |
| Tc | 881.07 | K | Relay (... Calculated Property |
| Tfus | 360.03 | K | Relay (... Calculated Property |
| Vc | 0.883 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [773.87; 828.50] | J/mol×K | [898.51; 1113.77] | 
|
| Cp,gas | 773.87 | J/mol×K | 898.51 | Joback Calculated Property |
| Cp,gas | 785.80 | J/mol×K | 934.39 | Joback Calculated Property |
| Cp,gas | 796.57 | J/mol×K | 970.26 | Joback Calculated Property |
| Cp,gas | 806.20 | J/mol×K | 1006.14 | Joback Calculated Property |
| Cp,gas | 814.72 | J/mol×K | 1042.02 | Joback Calculated Property |
| Cp,gas | 822.14 | J/mol×K | 1077.90 | Joback Calculated Property |
| Cp,gas | 828.50 | J/mol×K | 1113.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Benzyl-3-(1,2-dicarbethoxyethyl)urea.
Sources
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