- InChI
- InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
- InChI Key
- VJHINFRRDQUWOJ-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCCC(CC)COC(=O)CCCCCCCCC(=O)O
CC(CC)CCCC - Molecular Weight1
- 426.67
- CAS
- 122-62-3
- Other Names
-
- 1-Hexanol, 2-ethyl-, sebacate
- 2-Ethylhexyl sebacate
- BEHS
- Bis(2-ethylhexyl) ester, decanedionic acid
- Bis(2-ethylhexyl) ester, sebacic acid
- Bis(ethylhexyl) sebacate
- Bis-(2-ethylhexyl)ester kyseliny sebakove
- Bisoflex
- Bisoflex DOS
- DOS
- Decanedioic acid, 1,10-bis(2-ethylhexyl) ester
- Decanedioic acid, di-(2-ethylhexyl) ester
- Di(2-ethylhexyl) sebacate
- Dioctyl sebacate
- Edenol 888
- Edenor DEHS
- Ergoplast SDO
- Ergoplast SNO
- Monoplex DOS
- NSC 68878
- Octoil s
- Plasthall DOS
- Plexol
- Plexol 201
- Plexol 201J
- Px 438
- Reolube dos
- Reomol DDS
- Sansocizer DOS
- Sebacic acid di(2-ethylhexyl) ester
- Sebacic acid, dioctyl ester-
- Staflex dos
- Uniflex DOS
- bis(2-ethylhexyl) decanedioate
- bis(2-ethylhexyl) sebacate
- di-(2-ethylhexyl) sebacate
- sebacic acid, bis(2-ethylhexyl) ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 | 1.1553 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1220.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.84 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -6.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.626 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 735.22 | kPa | Joback Calculated Property |
| Inp | [2792.00; 2792.00] |
|
|
| Inp | 2792.00 | NIST | |
| Inp | 2792.00 | NIST | |
| Inp | 2792.00 | NIST | |
| Tboil | 653.87 | K | Relay (1.0) Calculated Property |
| Tc | 824.85 | K | Relay (1.0) Calculated Property |
| Tfus | 225.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.477 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [485.20; 529.20] | K | [0.10; 0.70] |
|
| Tboilr | 485.20 | K | 0.10 | NIST |
| Tboilr | 529.20 | K | 0.70 | NIST |
Datasets
Molar heat capacity at constant pressure, J/K/mol
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Molar heat capacity at constant pressure, J/K/mol - Liquid |
| 293.15 | 100.00 | 810.30 |
| 293.15 | 10000.00 | 808.50 |
| 293.15 | 20000.00 | 805.60 |
| 293.15 | 30000.00 | 803.00 |
| 313.15 | 100.00 | 846.50 |
| 313.15 | 10000.00 | 843.50 |
| 313.15 | 20000.00 | 840.10 |
| 313.15 | 30000.00 | 838.40 |
| 333.15 | 100.00 | 878.10 |
| 333.15 | 10000.00 | 875.50 |
| 333.15 | 20000.00 | 873.40 |
| 333.15 | 30000.00 | 871.70 |
| 353.15 | 100.00 | 910.90 |
| 353.15 | 10000.00 | 909.70 |
| 353.15 | 20000.00 | 907.10 |
| 353.15 | 30000.00 | 906.30 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.09; 1377.99] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.67080e+01 | |||
| Coefficient B | 2.37608e+00 | |||
| Coefficient C | -1.20780e-03 | |||
| Coefficient D | 1.83000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 589.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 724.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 846.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 955.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1052.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1138.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1213.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1277.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1332.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1377.99 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Decanedioic acid, bis(2-ethylhexyl) ester.
Mixtures
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental density and viscosity measurements of di(2ethylhexyl)sebacate at high pressure
- An experimental setup for isobaric heat capacities for viscous fluids at high pressure: Squalane, bis(2-ethylhexyl) sebacate and bis(2-ethylhexyl) phthalate
- Equilibrium Solubilities of Diisooctyl Sebacate in Supercritical Carbon Dioxide
- Measurements of the Viscosity of Bis(2-ethylhexyl) Sebacate, Squalane, and Bis(2-ethylhexyl) Phthalate between (283 and 363) K at 0.1 MPa
- Joback Method
- McGowan Method
- NIST Webbook
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