- InChI
- InChI=1S/C22H42O5/c1-5-6-7-8-9-13-17-26-21(23)14-11-10-12-15-22(24)27-20(3)19(2)16-18-25-4/h19-20H,5-18H2,1-4H3
- InChI Key
- UEJXCFRGHFDMMM-UHFFFAOYSA-N
- Formula
- C22H42O5
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OC(C)C
(C)CCOC - Molecular Weight1
- 386.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -443.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1129.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.71 | Crippen Calculated Property | |
| logPoct/wat | 5.445 | Crippen Calculated Property | |
| McVol | 341.590 | ml/mol | McGowan Calculated Property |
| Pc | 953.19 | kPa | Joback Calculated Property |
| Inp | [2551.00; 2551.00] |
|
|
| Inp | 2551.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Tboil | 876.88 | K | Joback Calculated Property |
| Tc | 1073.55 | K | Joback Calculated Property |
| Tfus | 474.25 | K | Joback Calculated Property |
| Vc | 1.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1125.01; 1218.30] | J/mol×K | [876.88; 1073.55] |
|
| Cp,gas | 1125.01 | J/mol×K | 876.88 | Joback Calculated Property |
| Cp,gas | 1143.87 | J/mol×K | 909.66 | Joback Calculated Property |
| Cp,gas | 1161.39 | J/mol×K | 942.44 | Joback Calculated Property |
| Cp,gas | 1177.58 | J/mol×K | 975.22 | Joback Calculated Property |
| Cp,gas | 1192.45 | J/mol×K | 1008.00 | Joback Calculated Property |
| Cp,gas | 1206.02 | J/mol×K | 1040.78 | Joback Calculated Property |
| Cp,gas | 1218.30 | J/mol×K | 1073.55 | Joback Calculated Property |
| η | [0.0000247; 0.0006124] | Pa×s | [474.25; 876.88] |
|
| η | 0.0006124 | Pa×s | 474.25 | Joback Calculated Property |
| η | 0.0002574 | Pa×s | 541.36 | Joback Calculated Property |
| η | 0.0001310 | Pa×s | 608.46 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 675.57 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 742.67 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 809.78 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 876.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 5-methoxy-3-methylpent-2-yl octyl ester.
Sources
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