- InChI
- InChI=1S/C23H44O4/c1-3-5-7-9-11-16-20-26-22(24)18-14-13-15-19-23(25)27-21-17-12-10-8-6-4-2/h3-21H2,1-2H3
- InChI Key
- MADOOBPQEFYJRB-UHFFFAOYSA-N
- Formula
- C23H44O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OCCCCC
CCC - Molecular Weight1
- 384.59
- Other Names
-
- Dioctyl pimelate
- 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° | -325.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1007.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.10 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 6.744 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 899.64 | kPa | Joback Calculated Property |
| Inp | [2599.00; 2684.00] |
|
|
| Inp | 2684.00 | NIST | |
| Inp | 2599.00 | NIST | |
| Inp | 2684.00 | NIST | |
| Inp | 2599.00 | NIST | |
| Tboil | 878.22 | K | Joback Calculated Property |
| Tc | 1075.46 | K | Joback Calculated Property |
| Tfus | 493.29 | K | Joback Calculated Property |
| Vc | 1.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1154.52; 1253.64] | J/mol×K | [878.22; 1075.46] |
|
| Cp,gas | 1154.52 | J/mol×K | 878.22 | Joback Calculated Property |
| Cp,gas | 1174.19 | J/mol×K | 911.09 | Joback Calculated Property |
| Cp,gas | 1192.56 | J/mol×K | 943.97 | Joback Calculated Property |
| Cp,gas | 1209.66 | J/mol×K | 976.84 | Joback Calculated Property |
| Cp,gas | 1225.52 | J/mol×K | 1009.71 | Joback Calculated Property |
| Cp,gas | 1240.17 | J/mol×K | 1042.59 | Joback Calculated Property |
| Cp,gas | 1253.64 | J/mol×K | 1075.46 | Joback Calculated Property |
| η | [0.0000342; 0.0005944] | Pa×s | [493.29; 878.22] |
|
| η | 0.0005944 | Pa×s | 493.29 | Joback Calculated Property |
| η | 0.0002809 | Pa×s | 557.44 | Joback Calculated Property |
| η | 0.0001550 | Pa×s | 621.60 | Joback Calculated Property |
| η | 0.0000955 | Pa×s | 685.75 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 749.91 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 814.07 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 878.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(octyl) ester.
Sources
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