- InChI
- InChI=1S/C22H40O4/c1-5-7-13-18(11-6-2)26-22(24)20-15-9-8-14-19(20)21(23)25-16-10-12-17(3)4/h17-20H,5-16H2,1-4H3
- InChI Key
- YDAYAWZSMYTDGX-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCC(CCC)OC(=O)C1CCCCC1C(=O)O
CCCC(C)C - Molecular Weight1
- 368.55
- 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° | -321.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -963.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.22 | kJ/mol | Joback Calculated Property |
| log10WS | -6.04 | Crippen Calculated Property | |
| logPoct/wat | 5.674 | Crippen Calculated Property | |
| McVol | 324.860 | ml/mol | McGowan Calculated Property |
| Pc | 1074.98 | kPa | Joback Calculated Property |
| Inp | [2311.00; 2311.00] |
|
|
| Inp | 2311.00 | NIST | |
| Inp | 2311.00 | NIST | |
| Tboil | 869.34 | K | Joback Calculated Property |
| Tc | 1070.39 | K | Joback Calculated Property |
| Tfus | 455.16 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.91; 1189.87] | J/mol×K | [869.34; 1070.39] |
|
| Cp,gas | 1093.91 | J/mol×K | 869.34 | Joback Calculated Property |
| Cp,gas | 1113.57 | J/mol×K | 902.85 | Joback Calculated Property |
| Cp,gas | 1131.72 | J/mol×K | 936.36 | Joback Calculated Property |
| Cp,gas | 1148.41 | J/mol×K | 969.87 | Joback Calculated Property |
| Cp,gas | 1163.65 | J/mol×K | 1003.38 | Joback Calculated Property |
| Cp,gas | 1177.46 | J/mol×K | 1036.88 | Joback Calculated Property |
| Cp,gas | 1189.87 | J/mol×K | 1070.39 | Joback Calculated Property |
| η | [0.0000447; 0.0011117] | Pa×s | [455.16; 869.34] |
|
| η | 0.0011117 | Pa×s | 455.16 | Joback Calculated Property |
| η | 0.0004572 | Pa×s | 524.19 | Joback Calculated Property |
| η | 0.0002313 | Pa×s | 593.22 | Joback Calculated Property |
| η | 0.0001348 | Pa×s | 662.25 | Joback Calculated Property |
| η | 0.0000870 | Pa×s | 731.28 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 800.31 | Joback Calculated Property |
| η | 0.0000447 | Pa×s | 869.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl 4-octyl ester.
Sources
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