- InChI
- InChI=1S/C16H23NO4/c1-3-11-21-16(19)6-4-5-15(18)17-12-13-7-9-14(20-2)10-8-13/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)
- InChI Key
- PZPOIFOVHYKPEM-UHFFFAOYSA-N
- Formula
- C16H23NO4
- SMILES
-
CCCOC(=O)CCCC(=O)NCc1ccc(OC)cc
1 - Molecular Weight1
- 293.36
- 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 | 0.8696 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.435 | Crippen Calculated Property | |
| McVol | 237.400 | ml/mol | McGowan Calculated Property |
| Pc | 1837.26 | kPa | Joback Calculated Property |
| Inp | 2510.00 | NIST | |
| Tboil | 645.68 | K | Relay (1.0) Calculated Property |
| Tc | 844.56 | K | Relay (1.0) Calculated Property |
| Tfus | 330.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.68; 776.08] | J/mol×K | [799.89; 1003.51] | 
|
| Cp,gas | 704.68 | J/mol×K | 799.89 | Joback Calculated Property |
| Cp,gas | 719.08 | J/mol×K | 833.83 | Joback Calculated Property |
| Cp,gas | 732.46 | J/mol×K | 867.76 | Joback Calculated Property |
| Cp,gas | 744.84 | J/mol×K | 901.70 | Joback Calculated Property |
| Cp,gas | 756.23 | J/mol×K | 935.64 | Joback Calculated Property |
| Cp,gas | 766.63 | J/mol×K | 969.57 | Joback Calculated Property |
| Cp,gas | 776.08 | J/mol×K | 1003.51 | Joback Calculated Property |
Similar Compounds
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Sources
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