- InChI
- InChI=1S/C12H16N2O3/c1-2-17-11(15)9-14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,14,16)
- InChI Key
- JOGHOEBNQXZSDF-UHFFFAOYSA-N
- Formula
- C12H16N2O3
- SMILES
- CCOC(=O)CNC(=O)NCc1ccccc1
- Molecular Weight1
- 236.27
- CAS
- 91558-02-0
- 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 | 0.7053 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.049 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Tboil | 597.19 | K | Relay (1.0) Calculated Property |
| Tc | 834.93 | K | Relay (1.0) Calculated Property |
| Tfus | 349.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.33; 578.19] | J/mol×K | [731.14; 943.47] | 
|
| Cp,gas | 514.33 | J/mol×K | 731.14 | Joback Calculated Property |
| Cp,gas | 527.18 | J/mol×K | 766.53 | Joback Calculated Property |
| Cp,gas | 539.11 | J/mol×K | 801.92 | Joback Calculated Property |
| Cp,gas | 550.14 | J/mol×K | 837.31 | Joback Calculated Property |
| Cp,gas | 560.32 | J/mol×K | 872.70 | Joback Calculated Property |
| Cp,gas | 569.66 | J/mol×K | 908.08 | Joback Calculated Property |
| Cp,gas | 578.19 | J/mol×K | 943.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Benzyl-3-carbethoxymethyl urea.
Sources
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