- InChI
- InChI=1S/C22H34O4/c1-18(2)17-19(3)26-22(24)15-9-5-8-14-21(23)25-16-10-13-20-11-6-4-7-12-20/h4,6-7,11-12,18-19H,5,8-10,13-17H2,1-3H3
- InChI Key
- GXAGWHDYQDXRMW-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCCCC(=O)OCCC
c1ccccc1 - Molecular Weight1
- 362.50
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 48.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.091 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1131.38 | kPa | Joback Calculated Property |
| Inp | [2584.00; 2584.00] |
|
|
| Inp | 2584.00 | NIST | |
| Inp | 2584.00 | NIST | |
| Tboil | 646.67 | K | Relay (1.0) Calculated Property |
| Tfus | 278.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [984.32; 1067.83] | J/mol×K | [845.20; 1044.17] |
|
| Cp,gas | 984.32 | J/mol×K | 845.20 | Joback Calculated Property |
| Cp,gas | 1001.41 | J/mol×K | 878.36 | Joback Calculated Property |
| Cp,gas | 1017.18 | J/mol×K | 911.52 | Joback Calculated Property |
| Cp,gas | 1031.67 | J/mol×K | 944.69 | Joback Calculated Property |
| Cp,gas | 1044.92 | J/mol×K | 977.85 | Joback Calculated Property |
| Cp,gas | 1056.97 | J/mol×K | 1011.01 | Joback Calculated Property |
| Cp,gas | 1067.83 | J/mol×K | 1044.17 | Joback Calculated Property |
| η | [0.0000264; 0.0013557] | Pa×s | [418.78; 845.20] |
|
| η | 0.0013557 | Pa×s | 418.78 | Joback Calculated Property |
| η | 0.0004366 | Pa×s | 489.85 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 560.92 | Joback Calculated Property |
| η | 0.0000973 | Pa×s | 631.99 | Joback Calculated Property |
| η | 0.0000576 | Pa×s | 703.06 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 774.13 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 845.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 3-phenylpropyl ester.
Sources
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