- InChI
- InChI=1S/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3
- InChI Key
- QUKHPBOCBWDYMW-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
-
CC(C)COC(=O)C1CCCCC1C(=O)OCC(C
)C - Molecular Weight1
- 284.40
- Other Names
-
- diisobutyl hexahydrophthalate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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).
- n0 : Refractive Index.
- 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 |
|---|---|---|---|
| ω | 0.6819 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -969.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| McVol | 240.320 | ml/mol | McGowan Calculated Property |
| Pc | 1633.81 | kPa | Joback Calculated Property |
| Inp | [1845.00; 1845.00] |
|
|
| Inp | 1845.00 | NIST | |
| Inp | 1845.00 | NIST | |
| Tboil | 581.08 | K | Relay (1.0) Calculated Property |
| Tc | 776.37 | K | Relay (1.0) Calculated Property |
| Tfus | 296.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.878 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.39; 830.10] | J/mol×K | [732.06; 933.91] |
|
| Cp,gas | 732.39 | J/mol×K | 732.06 | Joback Calculated Property |
| Cp,gas | 751.74 | J/mol×K | 765.70 | Joback Calculated Property |
| Cp,gas | 769.85 | J/mol×K | 799.34 | Joback Calculated Property |
| Cp,gas | 786.74 | J/mol×K | 832.99 | Joback Calculated Property |
| Cp,gas | 802.40 | J/mol×K | 866.63 | Joback Calculated Property |
| Cp,gas | 816.85 | J/mol×K | 900.27 | Joback Calculated Property |
| Cp,gas | 830.10 | J/mol×K | 933.91 | Joback Calculated Property |
| η | [0.0001020; 0.0021382] | Pa×s | [387.54; 732.06] |
|
| η | 0.0021382 | Pa×s | 387.54 | Joback Calculated Property |
| η | 0.0009283 | Pa×s | 444.96 | Joback Calculated Property |
| η | 0.0004877 | Pa×s | 502.38 | Joback Calculated Property |
| η | 0.0002924 | Pa×s | 559.80 | Joback Calculated Property |
| η | 0.0001928 | Pa×s | 617.22 | Joback Calculated Property |
| η | 0.0001365 | Pa×s | 674.64 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 732.06 | Joback Calculated Property |
| n0 | [1.45300; 1.45300] | [293.10; 293.20] |
|
|
| n0 | 1.45300 | 293.10 | Isobaric vapor liquid equilibria of the binary system maleic anhydride and di-isobutyl hexahydrophthalate at 2.67, 5.33 and 8.00 kPa | |
| n0 | 1.45300 | 293.20 | Isothermal (vapor + liquid) equilibria of maleic anhydride + di-isobutyl hexahydrophthalate and maleic anhydride + di-n-butyl phthalate systems at T= (413.2, 433.2 and 453.2) K | |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, diisobutyl ester.
Mixtures
- Maleic anhydride + 1,2-Cyclohexanedicarboxylic acid, diisobutyl ester
- Water + 1,2-Cyclohexanedicarboxylic acid, diisobutyl ester
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Isobaric vapor liquid equilibria of the binary system maleic anhydride and di-isobutyl hexahydrophthalate at 2.67, 5.33 and 8.00 kPa
- Isothermal (vapor + liquid) equilibria of maleic anhydride + di-isobutyl hexahydrophthalate and maleic anhydride + di-n-butyl phthalate systems at T= (413.2, 433.2 and 453.2) K
- Liquid-Liquid Equilibria for the Binary Systems (Water + Di-n-butyl Phthalate), (Water + Di-ethyl Phthalate), and (Water + Di-isobutyl Hexahydrophthalate) from (298.2 to 348.2) K
- Joback Method
- McGowan Method
- NIST Webbook
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