- InChI
- InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-18-23-31-26(28)21-14-13-15-22-27(29)32-25-20-17-16-19-24(25)30-2/h16-17,19-20H,3-15,18,21-23H2,1-2H3
- InChI Key
- HQVCVMXWQWFLST-UHFFFAOYSA-N
- Formula
- C27H44O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCC(=O)O
c1ccccc1OC - Molecular Weight1
- 448.64
- 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° | -293.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -997.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.36 | kJ/mol | Joback Calculated Property |
| log10WS | -8.30 | Crippen Calculated Property | |
| logPoct/wat | 7.405 | Crippen Calculated Property | |
| McVol | 388.280 | ml/mol | McGowan Calculated Property |
| Pc | 855.46 | kPa | Joback Calculated Property |
| Inp | 2899.00 | NIST | |
| Tboil | 1023.82 | K | Joback Calculated Property |
| Tc | 1258.07 | K | Joback Calculated Property |
| Tfus | 599.54 | K | Joback Calculated Property |
| Vc | 1.506 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1335.61; 1409.86] | J/mol×K | [1023.82; 1258.07] | 
|
| Cp,gas | 1335.61 | J/mol×K | 1023.82 | Joback Calculated Property |
| Cp,gas | 1352.63 | J/mol×K | 1062.86 | Joback Calculated Property |
| Cp,gas | 1367.73 | J/mol×K | 1101.90 | Joback Calculated Property |
| Cp,gas | 1380.96 | J/mol×K | 1140.94 | Joback Calculated Property |
| Cp,gas | 1392.36 | J/mol×K | 1179.99 | Joback Calculated Property |
| Cp,gas | 1401.98 | J/mol×K | 1219.03 | Joback Calculated Property |
| Cp,gas | 1409.86 | J/mol×K | 1258.07 | Joback Calculated Property |
| η | [0.0000144; 0.0001845] | Pa×s | [599.54; 1023.82] |
|
| η | 0.0001845 | Pa×s | 599.54 | Joback Calculated Property |
| η | 0.0000963 | Pa×s | 670.25 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 740.97 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 811.68 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 882.39 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 953.11 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 1023.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-methoxyphenyl tridecyl ester.
Sources
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