- InChI
- InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
- InChI Key
- RDOFJDLLWVCMRU-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CC(C)COC(=O)CCCCC(=O)OCC(C)C
- Molecular Weight1
- 258.35
- CAS
- 141-04-8
- Other Names
-
- Adipic acid bis(2-methylpropyl) ester
- Adipic acid, diisobutyl ester
- Bis(2-methylpropyl) hexanedioate
- DIBA
- Diisobutyl hexanedioate
- Ftaflex DIBA
- Hexanedioic acid, 1,6-bis(2-methylpropyl) ester
- Hexanedioic acid, diisobutyl ester
- Isobutyl adipate
- NSC 6343
- Plasthall DIBA
- adipic acid diisobutyl ester
- diisobutyl adipate
- diisobutyl adipate [DIBA]
- hexanedioic acid bis(2-methylpropyl) ester
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.7906 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -990.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.945 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | [1652.00; 1699.00] |
|
|
| Inp | 1660.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1652.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1652.00 | NIST | |
| I | [2119.00; 2132.00] |
|
|
| I | 2132.00 | NIST | |
| I | 2119.00 | NIST | |
| Tboil | 556.41 | K | Relay (1.0) Calculated Property |
| Tc | 711.75 | K | Relay (1.0) Calculated Property |
| Tfus | 251.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.862 | 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
Similar Compounds
Find more compounds similar to Hexanedioic acid, bis(2-methylpropyl) ester.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Phase behavior of diisobutyl adipate carbon dioxide mixtures
- Influence of the Molecular Structure on the Volumetric Properties and Viscosities of Dialkyl Adipates (Dimethyl, Diethyl, and Diisobutyl Adipates)
- Joback Method
- McGowan Method
- NIST Webbook
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