- InChI
- InChI=1S/C26H50O4/c1-3-5-7-9-11-12-13-15-20-24-30-26(28)22-18-16-17-21-25(27)29-23-19-14-10-8-6-4-2/h3-24H2,1-2H3
- InChI Key
- UMNIIUWNYSQALM-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCC(=O)OCC
CCCCCC - Molecular Weight1
- 426.67
- 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° | -299.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1069.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.78 | kJ/mol | Joback Calculated Property |
| log10WS | -8.43 | Crippen Calculated Property | |
| logPoct/wat | 7.915 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 762.26 | kPa | Joback Calculated Property |
| Inp | [2958.00; 2958.00] |
|
|
| Inp | 2958.00 | NIST | |
| Inp | 2958.00 | NIST | |
| Tboil | 946.86 | K | Joback Calculated Property |
| Tc | 1166.44 | K | Joback Calculated Property |
| Tfus | 527.10 | K | Joback Calculated Property |
| Vc | 1.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1345.23; 1449.33] | J/mol×K | [946.86; 1166.44] |
|
| Cp,gas | 1345.23 | J/mol×K | 946.86 | Joback Calculated Property |
| Cp,gas | 1366.62 | J/mol×K | 983.46 | Joback Calculated Property |
| Cp,gas | 1386.33 | J/mol×K | 1020.05 | Joback Calculated Property |
| Cp,gas | 1404.40 | J/mol×K | 1056.65 | Joback Calculated Property |
| Cp,gas | 1420.89 | J/mol×K | 1093.25 | Joback Calculated Property |
| Cp,gas | 1435.85 | J/mol×K | 1129.84 | Joback Calculated Property |
| Cp,gas | 1449.33 | J/mol×K | 1166.44 | Joback Calculated Property |
| η | [0.0000216; 0.0004085] | Pa×s | [527.10; 946.86] |
|
| η | 0.0004085 | Pa×s | 527.10 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 597.06 | Joback Calculated Property |
| η | 0.0001016 | Pa×s | 667.02 | Joback Calculated Property |
| η | 0.0000618 | Pa×s | 736.98 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 806.94 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 876.90 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 946.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, octyl undecyl ester.
Sources
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