- InChI
- InChI=1S/C17H28N2O9/c1-5-25-13(20)9-11(15(22)27-7-3)18-17(24)19-12(16(23)28-8-4)10-14(21)26-6-2/h11-12H,5-10H2,1-4H3,(H2,18,19,24)
- InChI Key
- DTWHGRWKYRGPGN-UHFFFAOYSA-N
- Formula
- C17H28N2O9
- SMILES
-
CCOC(=O)CC(NC(=O)NC(CC(=O)OCC)
C(=O)OCC)C(=O)OCC - Molecular Weight1
- 404.41
- CAS
- 116435-07-5
- 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 | 1.0420 | Relay (... Calculated Property | |
| ΔfG° | -798.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1753.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 55.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.03 | kJ/mol | Relay (... Calculated Property |
| IE | 8.83 | eV | Relay (... Calculated Property |
| log10WS | -2.33 | Relay (... Calculated Property | |
| logPoct/wat | 0.055 | Crippen Calculated Property | |
| McVol | 301.680 | ml/mol | McGowan Calculated Property |
| Pc | 1524.69 | kPa | Joback Calculated Property |
| Tboil | 618.71 | K | Relay (... Calculated Property |
| Tc | 851.62 | K | Relay (... Calculated Property |
| Tfus | 370.55 | K | Relay (... Calculated Property |
| Vc | 1.094 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1002.82; 1024.49] | J/mol×K | [1046.85; 1283.71] | 
|
| Cp,gas | 1002.82 | J/mol×K | 1046.85 | Joback Calculated Property |
| Cp,gas | 1011.19 | J/mol×K | 1086.33 | Joback Calculated Property |
| Cp,gas | 1017.56 | J/mol×K | 1125.80 | Joback Calculated Property |
| Cp,gas | 1021.91 | J/mol×K | 1165.28 | Joback Calculated Property |
| Cp,gas | 1024.23 | J/mol×K | 1204.76 | Joback Calculated Property |
| Cp,gas | 1024.49 | J/mol×K | 1244.23 | Joback Calculated Property |
| Cp,gas | 1022.67 | J/mol×K | 1283.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Di-(1,2-dicarbethoxyethyl) urea.
Sources
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