- InChI
- InChI=1S/C15H21NO4/c1-3-20-15(18)6-4-5-14(17)16-11-12-7-9-13(19-2)10-8-12/h7-10H,3-6,11H2,1-2H3,(H,16,17)
- InChI Key
- NGJFFJMBPDLQEM-UHFFFAOYSA-N
- Formula
- C15H21NO4
- SMILES
- CCOC(=O)CCCC(=O)NCc1ccc(OC)cc1
- Molecular Weight1
- 279.33
- 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 | 0.8235 | Relay (1.0) Calculated Property | |
| ΔfG° | -200.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -688.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.045 | Crippen Calculated Property | |
| McVol | 223.310 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | 2412.00 | NIST | |
| Tboil | 637.37 | K | Relay (1.0) Calculated Property |
| Tc | 840.73 | K | Relay (1.0) Calculated Property |
| Tfus | 334.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.74; 718.96] | J/mol×K | [777.01; 981.78] | 
|
| Cp,gas | 648.74 | J/mol×K | 777.01 | Joback Calculated Property |
| Cp,gas | 662.86 | J/mol×K | 811.14 | Joback Calculated Property |
| Cp,gas | 676.00 | J/mol×K | 845.27 | Joback Calculated Property |
| Cp,gas | 688.16 | J/mol×K | 879.40 | Joback Calculated Property |
| Cp,gas | 699.37 | J/mol×K | 913.52 | Joback Calculated Property |
| Cp,gas | 709.63 | J/mol×K | 947.65 | Joback Calculated Property |
| Cp,gas | 718.96 | J/mol×K | 981.78 | Joback Calculated Property |
Similar Compounds
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Sources
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