- InChI
- InChI=1S/C17H32N2O5/c1-7-23-15(20)13(9-11(3)4)18-17(22)19-14(10-12(5)6)16(21)24-8-2/h11-14H,7-10H2,1-6H3,(H2,18,19,22)
- InChI Key
- RJSMGWKDCUHEAZ-UHFFFAOYSA-N
- Formula
- C17H32N2O5
- SMILES
-
CCOC(=O)C(CC(C)C)NC(=O)NC(CC(C
)C)C(=O)OCC - Molecular Weight1
- 344.45
- CAS
- 70779-90-7
- 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 | 0.8782 | Relay (... Calculated Property | |
| ΔfG° | -335.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1157.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.59 | eV | Relay (... Calculated Property |
| log10WS | -3.67 | Relay (... Calculated Property | |
| logPoct/wat | 2.241 | Crippen Calculated Property | |
| McVol | 286.800 | ml/mol | McGowan Calculated Property |
| Pc | 1438.07 | kPa | Joback Calculated Property |
| Tboil | 588.59 | K | Relay (... Calculated Property |
| Tc | 801.38 | K | Relay (... Calculated Property |
| Tfus | 352.56 | K | Relay (... Calculated Property |
| Vc | 1.024 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [934.32; 1004.51] | J/mol×K | [893.39; 1097.13] | 
|
| Cp,gas | 934.32 | J/mol×K | 893.39 | Joback Calculated Property |
| Cp,gas | 949.01 | J/mol×K | 927.35 | Joback Calculated Property |
| Cp,gas | 962.48 | J/mol×K | 961.30 | Joback Calculated Property |
| Cp,gas | 974.75 | J/mol×K | 995.26 | Joback Calculated Property |
| Cp,gas | 985.83 | J/mol×K | 1029.22 | Joback Calculated Property |
| Cp,gas | 995.74 | J/mol×K | 1063.17 | Joback Calculated Property |
| Cp,gas | 1004.51 | J/mol×K | 1097.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Di-(1-carbethoxy-3-methylbutyl) urea.
Sources
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