- InChI
- InChI=1S/C18H32O4/c1-4-5-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(2)3/h14-16H,4-13H2,1-3H3
- InChI Key
- DRNQUQOSMYBINP-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
CCCCCCOC(=O)C1CCCCC1C(=O)OCC(C
)C - Molecular Weight1
- 312.44
- 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° | -352.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 4.115 | Crippen Calculated Property | |
| McVol | 268.500 | ml/mol | McGowan Calculated Property |
| Pc | 1398.55 | kPa | Joback Calculated Property |
| Inp | [2076.00; 2076.00] |
|
|
| Inp | 2076.00 | NIST | |
| Inp | 2076.00 | NIST | |
| Tboil | 778.26 | K | Joback Calculated Property |
| Tc | 975.02 | K | Joback Calculated Property |
| Tfus | 425.08 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.26; 946.13] | J/mol×K | [778.26; 975.02] |
|
| Cp,gas | 849.26 | J/mol×K | 778.26 | Joback Calculated Property |
| Cp,gas | 868.53 | J/mol×K | 811.05 | Joback Calculated Property |
| Cp,gas | 886.53 | J/mol×K | 843.85 | Joback Calculated Property |
| Cp,gas | 903.28 | J/mol×K | 876.64 | Joback Calculated Property |
| Cp,gas | 918.79 | J/mol×K | 909.43 | Joback Calculated Property |
| Cp,gas | 933.07 | J/mol×K | 942.22 | Joback Calculated Property |
| Cp,gas | 946.13 | J/mol×K | 975.02 | Joback Calculated Property |
| η | [0.0000852; 0.0014522] | Pa×s | [425.08; 778.26] |
|
| η | 0.0014522 | Pa×s | 425.08 | Joback Calculated Property |
| η | 0.0006791 | Pa×s | 483.94 | Joback Calculated Property |
| η | 0.0003745 | Pa×s | 542.81 | Joback Calculated Property |
| η | 0.0002320 | Pa×s | 601.67 | Joback Calculated Property |
| η | 0.0001565 | Pa×s | 660.53 | Joback Calculated Property |
| η | 0.0001127 | Pa×s | 719.40 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 778.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexyl isobutyl ester.
Sources
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