- InChI
- InChI=1S/C22H28O4/c1-2-3-9-17-25-21(23)15-5-4-6-16-22(24)26-20-14-10-12-18-11-7-8-13-19(18)20/h7-8,10-14H,2-6,9,15-17H2,1H3
- InChI Key
- OIWXDAIAGQNZOH-UHFFFAOYSA-N
- Formula
- C22H28O4
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)Oc1cccc2c
cccc12 - Molecular Weight1
- 356.46
- 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° | -124.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.46 | kJ/mol | Joback Calculated Property |
| log10WS | -6.64 | Crippen Calculated Property | |
| logPoct/wat | 5.429 | Crippen Calculated Property | |
| McVol | 292.500 | ml/mol | McGowan Calculated Property |
| Pc | 1395.41 | kPa | Joback Calculated Property |
| Inp | 2843.00 | NIST | |
| Tboil | 905.98 | K | Joback Calculated Property |
| Tc | 1119.89 | K | Joback Calculated Property |
| Tfus | 553.66 | K | Joback Calculated Property |
| Vc | 1.129 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [920.00; 994.08] | J/mol×K | [905.98; 1119.89] | 
|
| Cp,gas | 920.00 | J/mol×K | 905.98 | Joback Calculated Property |
| Cp,gas | 934.94 | J/mol×K | 941.63 | Joback Calculated Property |
| Cp,gas | 948.76 | J/mol×K | 977.28 | Joback Calculated Property |
| Cp,gas | 961.53 | J/mol×K | 1012.93 | Joback Calculated Property |
| Cp,gas | 973.31 | J/mol×K | 1048.59 | Joback Calculated Property |
| Cp,gas | 984.14 | J/mol×K | 1084.24 | Joback Calculated Property |
| Cp,gas | 994.08 | J/mol×K | 1119.89 | Joback Calculated Property |
| η | [0.0000834; 0.0005974] | Pa×s | [553.66; 905.98] |
|
| η | 0.0005974 | Pa×s | 553.66 | Joback Calculated Property |
| η | 0.0003677 | Pa×s | 612.38 | Joback Calculated Property |
| η | 0.0002463 | Pa×s | 671.10 | Joback Calculated Property |
| η | 0.0001760 | Pa×s | 729.82 | Joback Calculated Property |
| η | 0.0001322 | Pa×s | 788.54 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 847.26 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 905.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 1-naphthyl pentyl ester.
Sources
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