- InChI
- InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-15-22-29-25(27)20-13-10-14-21-26(28)30-23-16-19-24-17-11-9-12-18-24/h9,11-12,17-18H,2-8,10,13-16,19-23H2,1H3
- InChI Key
- RUQKRSSQJDWQEK-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCC(=O)OCCC
c1ccccc1 - Molecular Weight1
- 418.61
- 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° | -187.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.06 | kJ/mol | Joback Calculated Property |
| log10WS | -7.53 | Crippen Calculated Property | |
| logPoct/wat | 6.797 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 923.30 | kPa | Joback Calculated Property |
| Inp | [3187.00; 3187.00] |
|
|
| Inp | 3187.00 | NIST | |
| Inp | 3187.00 | NIST | |
| Tboil | 973.54 | K | Joback Calculated Property |
| Tc | 1192.35 | K | Joback Calculated Property |
| Tfus | 553.52 | K | Joback Calculated Property |
| Vc | 1.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1244.21; 1328.87] | J/mol×K | [973.54; 1192.35] |
|
| Cp,gas | 1244.21 | J/mol×K | 973.54 | Joback Calculated Property |
| Cp,gas | 1261.91 | J/mol×K | 1010.01 | Joback Calculated Property |
| Cp,gas | 1278.10 | J/mol×K | 1046.48 | Joback Calculated Property |
| Cp,gas | 1292.83 | J/mol×K | 1082.94 | Joback Calculated Property |
| Cp,gas | 1306.17 | J/mol×K | 1119.41 | Joback Calculated Property |
| Cp,gas | 1318.16 | J/mol×K | 1155.88 | Joback Calculated Property |
| Cp,gas | 1328.87 | J/mol×K | 1192.35 | Joback Calculated Property |
| η | [0.0000223; 0.0003484] | Pa×s | [553.52; 973.54] |
|
| η | 0.0003484 | Pa×s | 553.52 | Joback Calculated Property |
| η | 0.0001703 | Pa×s | 623.52 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 693.53 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 763.53 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 833.53 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 903.54 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 973.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, decyl 3-phenylpropyl ester.
Sources
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