- InChI
- InChI=1S/C20H36O4/c1-4-5-6-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-15-16(2)3/h16-18H,4-15H2,1-3H3
- InChI Key
- KXQYQKVACIQHEL-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCCCCCOC(=O)C1CCCCC1C(=O)OCC
(C)C - Molecular Weight1
- 340.50
- 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° | -336.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -917.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.16 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.896 | Crippen Calculated Property | |
| McVol | 296.680 | ml/mol | McGowan Calculated Property |
| Pc | 1217.44 | kPa | Joback Calculated Property |
| Inp | [2279.00; 2279.00] |
|
|
| Inp | 2279.00 | NIST | |
| Inp | 2279.00 | NIST | |
| Tboil | 824.02 | K | Joback Calculated Property |
| Tc | 1020.98 | K | Joback Calculated Property |
| Tfus | 447.62 | K | Joback Calculated Property |
| Vc | 1.129 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.98; 1066.50] | J/mol×K | [824.02; 1020.98] |
|
| Cp,gas | 969.98 | J/mol×K | 824.02 | Joback Calculated Property |
| Cp,gas | 989.40 | J/mol×K | 856.85 | Joback Calculated Property |
| Cp,gas | 1007.46 | J/mol×K | 889.67 | Joback Calculated Property |
| Cp,gas | 1024.18 | J/mol×K | 922.50 | Joback Calculated Property |
| Cp,gas | 1039.58 | J/mol×K | 955.33 | Joback Calculated Property |
| Cp,gas | 1053.69 | J/mol×K | 988.16 | Joback Calculated Property |
| Cp,gas | 1066.50 | J/mol×K | 1020.98 | Joback Calculated Property |
| η | [0.0000648; 0.0011819] | Pa×s | [447.62; 824.02] |
|
| η | 0.0011819 | Pa×s | 447.62 | Joback Calculated Property |
| η | 0.0005412 | Pa×s | 510.35 | Joback Calculated Property |
| η | 0.0002940 | Pa×s | 573.09 | Joback Calculated Property |
| η | 0.0001802 | Pa×s | 635.82 | Joback Calculated Property |
| η | 0.0001206 | Pa×s | 698.55 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 761.29 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 824.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl octyl ester.
Sources
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