- InChI
- InChI=1S/C25H48O4/c1-3-5-7-9-10-11-12-14-19-23-29-25(27)21-17-15-16-20-24(26)28-22-18-13-8-6-4-2/h3-23H2,1-2H3
- InChI Key
- LMMGIYGIDYDPMA-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCC(=O)OCC
CCCCC - Molecular Weight1
- 412.65
- 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° | -308.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1048.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.56 | kJ/mol | Joback Calculated Property |
| log10WS | -8.01 | Crippen Calculated Property | |
| logPoct/wat | 7.524 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 804.33 | kPa | Joback Calculated Property |
| Inp | [2029.00; 2029.00] |
|
|
| Inp | 2029.00 | NIST | |
| Inp | 2029.00 | NIST | |
| Tboil | 923.98 | K | Joback Calculated Property |
| Tc | 1135.00 | K | Joback Calculated Property |
| Tfus | 515.83 | K | Joback Calculated Property |
| Vc | 1.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1281.17; 1383.60] | J/mol×K | [923.98; 1135.00] |
|
| Cp,gas | 1281.17 | J/mol×K | 923.98 | Joback Calculated Property |
| Cp,gas | 1301.94 | J/mol×K | 959.15 | Joback Calculated Property |
| Cp,gas | 1321.17 | J/mol×K | 994.32 | Joback Calculated Property |
| Cp,gas | 1338.92 | J/mol×K | 1029.49 | Joback Calculated Property |
| Cp,gas | 1355.21 | J/mol×K | 1064.66 | Joback Calculated Property |
| Cp,gas | 1370.09 | J/mol×K | 1099.83 | Joback Calculated Property |
| Cp,gas | 1383.60 | J/mol×K | 1135.00 | Joback Calculated Property |
| η | [0.0000252; 0.0004642] | Pa×s | [515.83; 923.98] |
|
| η | 0.0004642 | Pa×s | 515.83 | Joback Calculated Property |
| η | 0.0002153 | Pa×s | 583.86 | Joback Calculated Property |
| η | 0.0001173 | Pa×s | 651.88 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 719.90 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 787.93 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 855.95 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 923.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, heptyl undecyl ester.
Sources
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