- InChI
- InChI=1S/C12H17ClN2O4/c1-17-9-6-8(15-12(16)14-5-4-13)7-10(18-2)11(9)19-3/h6-7H,4-5H2,1-3H3,(H2,14,15,16)
- InChI Key
- RVSXAKGVAATORR-UHFFFAOYSA-N
- Formula
- C12H17ClN2O4
- SMILES
- COc1cc(NC(=O)NCCCl)cc(OC)c1OC
- Molecular Weight1
- 288.73
- CAS
- 33021-68-0
- 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 | 0.8851 | Relay (1.0) Calculated Property | |
| ΔfG° | -143.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.073 | Crippen Calculated Property | |
| McVol | 207.560 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Tboil | 622.51 | K | Relay (1.0) Calculated Property |
| Tc | 913.55 | K | Relay (1.0) Calculated Property |
| Tfus | 424.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.725 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.31; 633.98] | J/mol×K | [774.48; 983.34] | 
|
| Cp,gas | 573.31 | J/mol×K | 774.48 | Joback Calculated Property |
| Cp,gas | 585.74 | J/mol×K | 809.29 | Joback Calculated Property |
| Cp,gas | 597.26 | J/mol×K | 844.10 | Joback Calculated Property |
| Cp,gas | 607.86 | J/mol×K | 878.91 | Joback Calculated Property |
| Cp,gas | 617.52 | J/mol×K | 913.72 | Joback Calculated Property |
| Cp,gas | 626.23 | J/mol×K | 948.53 | Joback Calculated Property |
| Cp,gas | 633.98 | J/mol×K | 983.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Urea, 1-(2-chloroethyl)-3-(3,4,5-trimethoxyphenyl)-.
Sources
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