- InChI
- InChI=1S/C21H34N2O3/c1-2-26-20(24)16-12-7-5-3-4-6-8-13-17-22-21(25)23-18-19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3,(H2,22,23,25)
- InChI Key
- UYWQBUQSUNRPFQ-UHFFFAOYSA-N
- Formula
- C21H34N2O3
- SMILES
-
CCOC(=O)CCCCCCCCCCNC(=O)NCc1cc
ccc1 - Molecular Weight1
- 362.51
- CAS
- 95001-15-3
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 54.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.21 | Crippen Calculated Property | |
| logPoct/wat | 4.560 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1305.17 | kPa | Joback Calculated Property |
| Tboil | 937.06 | K | Joback Calculated Property |
| Tc | 1148.90 | K | Joback Calculated Property |
| Tfus | 580.26 | K | Joback Calculated Property |
| Vc | 1.204 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1027.92; 1103.50] | J/mol×K | [937.06; 1148.90] | 
|
| Cp,gas | 1027.92 | J/mol×K | 937.06 | Joback Calculated Property |
| Cp,gas | 1043.32 | J/mol×K | 972.37 | Joback Calculated Property |
| Cp,gas | 1057.52 | J/mol×K | 1007.67 | Joback Calculated Property |
| Cp,gas | 1070.58 | J/mol×K | 1042.98 | Joback Calculated Property |
| Cp,gas | 1082.56 | J/mol×K | 1078.29 | Joback Calculated Property |
| Cp,gas | 1093.51 | J/mol×K | 1113.59 | Joback Calculated Property |
| Cp,gas | 1103.50 | J/mol×K | 1148.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Benzyl-3-(10-carbethoxydecyl) urea.
Sources
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