- InChI
- InChI=1S/C18H27NO4/c1-3-4-14-23-18(21)7-5-6-17(20)19-13-12-15-8-10-16(22-2)11-9-15/h8-11H,3-7,12-14H2,1-2H3,(H,19,20)
- InChI Key
- OTELLYHRHCFSFK-UHFFFAOYSA-N
- Formula
- C18H27NO4
- SMILES
-
CCCCOC(=O)CCCC(=O)NCCc1ccc(OC)
cc1 - Molecular Weight1
- 321.41
- 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 | 0.9531 | Relay (1.0) Calculated Property | |
| ΔfG° | -174.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.867 | Crippen Calculated Property | |
| McVol | 265.580 | ml/mol | McGowan Calculated Property |
| Pc | 1568.47 | kPa | Joback Calculated Property |
| Inp | 2678.00 | NIST | |
| Tboil | 659.60 | K | Relay (1.0) Calculated Property |
| Tc | 862.50 | K | Relay (1.0) Calculated Property |
| Tfus | 321.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.974 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [819.30; 892.45] | J/mol×K | [845.65; 1048.83] | 
|
| Cp,gas | 819.30 | J/mol×K | 845.65 | Joback Calculated Property |
| Cp,gas | 834.18 | J/mol×K | 879.51 | Joback Calculated Property |
| Cp,gas | 847.96 | J/mol×K | 913.38 | Joback Calculated Property |
| Cp,gas | 860.66 | J/mol×K | 947.24 | Joback Calculated Property |
| Cp,gas | 872.29 | J/mol×K | 981.10 | Joback Calculated Property |
| Cp,gas | 882.88 | J/mol×K | 1014.97 | Joback Calculated Property |
| Cp,gas | 892.45 | J/mol×K | 1048.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(2-(4-methoxyphenyl)ethyl)-, butyl ester.
Sources
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