- InChI
- InChI=1S/C16H23NO3/c1-3-12-20-16(19)11-7-10-15(18)17-13(2)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,18)
- InChI Key
- ZLYDBQVKBPSPGS-UHFFFAOYSA-N
- Formula
- C16H23NO3
- SMILES
- CCCOC(=O)CCCC(=O)NC(C)c1ccccc1
- Molecular Weight1
- 277.36
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -79.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 2.987 | Crippen Calculated Property | |
| McVol | 231.530 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | 2216.00 | NIST | |
| Tboil | 772.05 | K | Joback Calculated Property |
| Tc | 978.12 | K | Joback Calculated Property |
| Tfus | 456.25 | K | Joback Calculated Property |
| Vc | 0.882 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.31; 754.13] | J/mol×K | [772.05; 978.12] | 
|
| Cp,gas | 678.31 | J/mol×K | 772.05 | Joback Calculated Property |
| Cp,gas | 693.41 | J/mol×K | 806.40 | Joback Calculated Property |
| Cp,gas | 707.49 | J/mol×K | 840.74 | Joback Calculated Property |
| Cp,gas | 720.56 | J/mol×K | 875.09 | Joback Calculated Property |
| Cp,gas | 732.67 | J/mol×K | 909.43 | Joback Calculated Property |
| Cp,gas | 743.85 | J/mol×K | 943.78 | Joback Calculated Property |
| Cp,gas | 754.13 | J/mol×K | 978.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(1-phenylethyl)-, propyl ester.
Sources
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