- 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).
- 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).
- 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 | |
| ΔfG° | -405.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.45 | 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 | 1660.55 | 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 | |
| I | [2119.00; 2132.00] |
|
|
| I | 2132.00 | NIST | |
| I | 2119.00 | NIST | |
| Tboil | 556.41 | K | Relay (1.0) Calculated Property |
| Tc | 708.90 | K | Relay (1.0) Calculated Property |
| Tfus | 254.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.860 | m3/kmol | Relay (1.0) Calculated Property |
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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