- InChI
- InChI=1S/C20H36O4/c1-5-7-11-16(10-6-2)24-20(22)18-13-9-8-12-17(18)19(21)23-14-15(3)4/h15-18H,5-14H2,1-4H3
- InChI Key
- CWKDMQBBVDQOMM-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCC(CCC)OC(=O)C1CCCCC1C(=O)O
CC(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° | -338.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -922.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.77 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 4.894 | Crippen Calculated Property | |
| McVol | 296.680 | ml/mol | McGowan Calculated Property |
| Pc | 1224.27 | kPa | Joback Calculated Property |
| Inp | [2125.00; 2125.00] |
|
|
| Inp | 2125.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Tboil | 823.58 | K | Joback Calculated Property |
| Tc | 1022.33 | K | Joback Calculated Property |
| Tfus | 432.62 | K | Joback Calculated Property |
| Vc | 1.123 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.46; 1067.49] | J/mol×K | [823.58; 1022.33] |
|
| Cp,gas | 970.46 | J/mol×K | 823.58 | Joback Calculated Property |
| Cp,gas | 990.04 | J/mol×K | 856.70 | Joback Calculated Property |
| Cp,gas | 1008.24 | J/mol×K | 889.83 | Joback Calculated Property |
| Cp,gas | 1025.07 | J/mol×K | 922.95 | Joback Calculated Property |
| Cp,gas | 1040.54 | J/mol×K | 956.08 | Joback Calculated Property |
| Cp,gas | 1054.67 | J/mol×K | 989.20 | Joback Calculated Property |
| Cp,gas | 1067.49 | J/mol×K | 1022.33 | Joback Calculated Property |
| η | [0.0000595; 0.0014062] | Pa×s | [432.62; 823.58] |
|
| η | 0.0014062 | Pa×s | 432.62 | Joback Calculated Property |
| η | 0.0005879 | Pa×s | 497.78 | Joback Calculated Property |
| η | 0.0003007 | Pa×s | 562.94 | Joback Calculated Property |
| η | 0.0001768 | Pa×s | 628.10 | Joback Calculated Property |
| η | 0.0001149 | Pa×s | 693.26 | Joback Calculated Property |
| η | 0.0000804 | Pa×s | 758.42 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 823.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl 4-octyl ester.
Sources
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