- InChI
- InChI=1S/C20H31NO3/c1-3-5-10-17-24-20(23)15-11-14-19(22)21(16-6-4-2)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3
- InChI Key
- TURWIAHADOFJDB-UHFFFAOYSA-N
- Formula
- C20H31NO3
- SMILES
-
CCCCCOC(=O)CCCC(=O)N(CCCC)c1cc
ccc1 - Molecular Weight1
- 333.46
- 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 | 0.9549 | Relay (1.0) Calculated Property | |
| ΔfG° | -22.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.723 | Crippen Calculated Property | |
| McVol | 287.890 | ml/mol | McGowan Calculated Property |
| Pc | 1371.74 | kPa | Joback Calculated Property |
| Inp | 2442.00 | NIST | |
| Tboil | 647.19 | K | Relay (1.0) Calculated Property |
| Tc | 855.53 | K | Relay (1.0) Calculated Property |
| Tfus | 308.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [891.01; 975.69] | J/mol×K | [826.28; 1024.21] | 
|
| Cp,gas | 891.01 | J/mol×K | 826.28 | Joback Calculated Property |
| Cp,gas | 907.69 | J/mol×K | 859.27 | Joback Calculated Property |
| Cp,gas | 923.29 | J/mol×K | 892.26 | Joback Calculated Property |
| Cp,gas | 937.83 | J/mol×K | 925.25 | Joback Calculated Property |
| Cp,gas | 951.39 | J/mol×K | 958.24 | Joback Calculated Property |
| Cp,gas | 963.99 | J/mol×K | 991.22 | Joback Calculated Property |
| Cp,gas | 975.69 | J/mol×K | 1024.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-butyl-N-phenyl-, pentyl ester.
Sources
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