- 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
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -405.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.29 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen 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 | 671.42 | K | Joback Calculated Property |
| Tc | 852.27 | K | Joback Calculated Property |
| Tfus | 361.86 | K | Joback Calculated Property |
| Vc | 0.856 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.10; 708.34] | J/mol×K | [671.42; 852.27] |
|
| Cp,gas | 623.10 | J/mol×K | 671.42 | Joback Calculated Property |
| Cp,gas | 639.24 | J/mol×K | 701.56 | Joback Calculated Property |
| Cp,gas | 654.60 | J/mol×K | 731.70 | Joback Calculated Property |
| Cp,gas | 669.19 | J/mol×K | 761.84 | Joback Calculated Property |
| Cp,gas | 683.00 | J/mol×K | 791.99 | Joback Calculated Property |
| Cp,gas | 696.05 | J/mol×K | 822.13 | Joback Calculated Property |
| Cp,gas | 708.34 | J/mol×K | 852.27 | Joback Calculated Property |
| η | [0.0012900; 0.0085600] | Pa×s | [283.15; 373.15] |
|
| η | 0.0085600 | Pa×s | 283.15 | Influen... |
| η | 0.0072200 | Pa×s | 288.15 | Influen... |
| η | 0.0061700 | Pa×s | 293.15 | Influen... |
| η | 0.0053300 | Pa×s | 298.15 | Influen... |
| η | 0.0046500 | Pa×s | 303.15 | Influen... |
| η | 0.0040900 | Pa×s | 308.15 | Influen... |
| η | 0.0036300 | Pa×s | 313.15 | Influen... |
| η | 0.0032400 | Pa×s | 318.15 | Influen... |
| η | 0.0029200 | Pa×s | 323.15 | Influen... |
| η | 0.0026400 | Pa×s | 328.15 | Influen... |
| η | 0.0024000 | Pa×s | 333.15 | Influen... |
| η | 0.0021900 | Pa×s | 338.15 | Influen... |
| η | 0.0020100 | Pa×s | 343.15 | Influen... |
| η | 0.0018500 | Pa×s | 348.15 | Influen... |
| η | 0.0017100 | Pa×s | 353.15 | Influen... |
| η | 0.0015900 | Pa×s | 358.15 | Influen... |
| η | 0.0014800 | Pa×s | 363.15 | Influen... |
| η | 0.0013800 | Pa×s | 368.15 | Influen... |
| η | 0.0012900 | Pa×s | 373.15 | Influen... |
Similar Compounds
Find more compounds similar to Hexanedioic acid, bis(2-methylpropyl) ester.
Mixtures
Sources
- 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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