- InChI
- InChI=1S/C21H33NO3/c1-4-5-16-22(19-12-7-6-8-13-19)20(23)14-9-15-21(24)25-17-10-11-18(2)3/h6-8,12-13,18H,4-5,9-11,14-17H2,1-3H3
- InChI Key
- UNZMNTWNFFWOKX-UHFFFAOYSA-N
- Formula
- C21H33NO3
- SMILES
-
CCCCN(C(=O)CCCC(=O)OCCCC(C)C)c
1ccccc1 - Molecular Weight1
- 347.49
- 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 | 0.9520 | Relay (1.0) Calculated Property | |
| ΔfG° | -16.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.969 | Crippen Calculated Property | |
| McVol | 301.980 | ml/mol | McGowan Calculated Property |
| Pc | 1286.51 | kPa | Joback Calculated Property |
| Inp | [2504.00; 2504.00] |
|
|
| Inp | 2504.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Tboil | 653.85 | K | Relay (1.0) Calculated Property |
| Tc | 859.54 | K | Relay (1.0) Calculated Property |
| Tfus | 316.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.106 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [951.02; 1037.03] | J/mol×K | [848.72; 1049.18] |
|
| Cp,gas | 951.02 | J/mol×K | 848.72 | Joback Calculated Property |
| Cp,gas | 968.05 | J/mol×K | 882.13 | Joback Calculated Property |
| Cp,gas | 983.93 | J/mol×K | 915.54 | Joback Calculated Property |
| Cp,gas | 998.72 | J/mol×K | 948.95 | Joback Calculated Property |
| Cp,gas | 1012.46 | J/mol×K | 982.36 | Joback Calculated Property |
| Cp,gas | 1025.22 | J/mol×K | 1015.77 | Joback Calculated Property |
| Cp,gas | 1037.03 | J/mol×K | 1049.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-butyl-N-phenyl-, isohexyl ester.
Sources
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