- InChI
- InChI=1S/C11H19NO4/c1-5-6-15-11(14)12(4)7-10(13)16-8-9(2)3/h5,9H,1,6-8H2,2-4H3
- InChI Key
- XBXPLCYDEGTNOJ-UHFFFAOYSA-N
- Formula
- C11H19NO4
- SMILES
- C=CCOC(=O)N(C)CC(=O)OCC(C)C
- Molecular Weight1
- 229.27
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6676 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.440 | Crippen Calculated Property | |
| McVol | 186.410 | ml/mol | McGowan Calculated Property |
| Pc | 2195.89 | kPa | Joback Calculated Property |
| Inp | 1477.00 | NIST | |
| Tboil | 552.27 | K | Relay (1.0) Calculated Property |
| Tc | 710.66 | K | Relay (1.0) Calculated Property |
| Tfus | 246.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.684 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.49; 555.86] | J/mol×K | [612.34; 795.27] | 
|
| Cp,gas | 481.49 | J/mol×K | 612.34 | Joback Calculated Property |
| Cp,gas | 495.55 | J/mol×K | 642.83 | Joback Calculated Property |
| Cp,gas | 508.94 | J/mol×K | 673.32 | Joback Calculated Property |
| Cp,gas | 521.65 | J/mol×K | 703.81 | Joback Calculated Property |
| Cp,gas | 533.71 | J/mol×K | 734.29 | Joback Calculated Property |
| Cp,gas | 545.11 | J/mol×K | 764.78 | Joback Calculated Property |
| Cp,gas | 555.86 | J/mol×K | 795.27 | Joback Calculated Property |
Similar Compounds
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Sources
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