- 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 | 227.65 | K | Relay (1.0) Calculated Property |
| 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 | ||
Similar Compounds
Find more compounds similar to Decanedioic acid, bis(2-ethylhexyl) ester.
Mixtures
Sources
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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