- InChI
- InChI=1S/C20H31NO3/c1-16(2)9-8-14-24-20(23)13-7-12-19(22)21-15-17(3)18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3,(H,21,22)
- InChI Key
- XFFQHLXQAIIBOD-UHFFFAOYSA-N
- Formula
- C20H31NO3
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)NCC(C)c1
ccccc1 - Molecular Weight1
- 333.46
- 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° | -48.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 4.056 | Crippen Calculated Property | |
| McVol | 287.890 | ml/mol | McGowan Calculated Property |
| Pc | 1403.79 | kPa | Joback Calculated Property |
| Inp | 2592.00 | NIST | |
| Tboil | 863.13 | K | Joback Calculated Property |
| Tc | 1069.16 | K | Joback Calculated Property |
| Tfus | 486.33 | K | Joback Calculated Property |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [909.69; 989.76] | J/mol×K | [863.13; 1069.16] | 
|
| Cp,gas | 909.69 | J/mol×K | 863.13 | Joback Calculated Property |
| Cp,gas | 925.79 | J/mol×K | 897.47 | Joback Calculated Property |
| Cp,gas | 940.73 | J/mol×K | 931.81 | Joback Calculated Property |
| Cp,gas | 954.55 | J/mol×K | 966.14 | Joback Calculated Property |
| Cp,gas | 967.30 | J/mol×K | 1000.48 | Joback Calculated Property |
| Cp,gas | 979.02 | J/mol×K | 1034.82 | Joback Calculated Property |
| Cp,gas | 989.76 | J/mol×K | 1069.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(2-phenylpropyl)-, isohexyl ester.
Sources
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