- InChI
- InChI=1S/C23H36O5/c1-3-4-5-6-7-11-18-27-22(24)12-9-8-10-13-23(25)28-19-20-14-16-21(26-2)17-15-20/h14-17H,3-13,18-19H2,1-2H3
- InChI Key
- AGMQTAWBVLESEA-UHFFFAOYSA-N
- Formula
- C23H36O5
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OCc1cc
c(OC)cc1 - Molecular Weight1
- 392.53
- 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° | -327.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -914.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.45 | kJ/mol | Joback Calculated Property |
| log10WS | -6.47 | Crippen Calculated Property | |
| logPoct/wat | 5.593 | Crippen Calculated Property | |
| McVol | 331.920 | ml/mol | McGowan Calculated Property |
| Pc | 1085.63 | kPa | Joback Calculated Property |
| Inp | [3014.00; 3014.00] |
|
|
| Inp | 3014.00 | NIST | |
| Inp | 3014.00 | NIST | |
| Tboil | 932.30 | K | Joback Calculated Property |
| Tc | 1142.00 | K | Joback Calculated Property |
| Tfus | 554.46 | K | Joback Calculated Property |
| Vc | 1.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1087.84; 1163.87] | J/mol×K | [932.30; 1142.00] |
|
| Cp,gas | 1087.84 | J/mol×K | 932.30 | Joback Calculated Property |
| Cp,gas | 1104.03 | J/mol×K | 967.25 | Joback Calculated Property |
| Cp,gas | 1118.78 | J/mol×K | 1002.20 | Joback Calculated Property |
| Cp,gas | 1132.12 | J/mol×K | 1037.15 | Joback Calculated Property |
| Cp,gas | 1144.07 | J/mol×K | 1072.10 | Joback Calculated Property |
| Cp,gas | 1154.64 | J/mol×K | 1107.05 | Joback Calculated Property |
| Cp,gas | 1163.87 | J/mol×K | 1142.00 | Joback Calculated Property |
| η | [0.0000265; 0.0002993] | Pa×s | [554.46; 932.30] |
|
| η | 0.0002993 | Pa×s | 554.46 | Joback Calculated Property |
| η | 0.0001626 | Pa×s | 617.43 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 680.41 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 743.38 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 806.35 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 869.33 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 932.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methoxybenzyl octyl ester.
Sources
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