- InChI
- InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
- InChI Key
- ONKUXPIBXRRIDU-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCOC(=O)CCCCCCCCC(=O)OCC
- Molecular Weight1
- 258.35
- CAS
- 110-40-7
- Other Names
-
- Bisoflex DES
- Decanedioic acid, 1,10-diethyl ester
- Diethyl 1,10-decanedioate
- Ethyl sebacate
- NSC 8911
- diethyl decanedioate
- diethyl sebacate
- sebacic acid, diethyl 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- 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 | 0.8280 | Relay (1.0) Calculated Property | |
| ΔfG° | -553.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -960.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.51 | Aq. Solubility Prediction | |
| logPoct/wat | 3.233 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1535.46 | kPa | Joback Calculated Property |
| Inp | [1745.00; 1804.00] |
|
|
| Inp | 1804.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Inp | 1759.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Inp | 1759.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Inp | 1745.00 | NIST | |
| Inp | 1804.00 | NIST | |
| I | 2272.00 | NIST | |
| Tboil | 585.20 | K | NIST |
| Tc | 740.00 | K | Vapor-liquid critical temperatures and pressures of dicarboxylic acid diethyl esters |
| Tfus | 276.65 | K | Aq. Solubility Prediction |
| Vc | 0.872 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 74.10 | kJ/mol | 488.50 | NIST |
| ρl | 959.18 | kg/m3 | 298.20 | Modeling phase equilibria of ternary systems (water + formic acid + ester or alcohol) through UNIFAC-original, SERLAS, NRTL, NRTL-modified, and three-suffix Margules: Parameter estimation using genetic algorithm |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.15; 757.82] | 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 | 4.09800e+01 | |||
| Coefficient B | 1.22424e+00 | |||
| Coefficient C | -5.48600e-04 | |||
| Coefficient D | 4.12000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 335.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 407.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 472.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 531.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 584.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 631.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 671.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 706.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 734.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 757.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0135268; 0.0002343] | Pa×s | [276.65; 518.00] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.30077e+01 | |||
| Coefficient B | 2.40812e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 276.65 | |||
| Temperature range, max. | 518.00 | |||
| η | 0.0135268 | Pa×s | 276.65 | Calculated Property |
| η | 0.0062681 | Pa×s | 303.47 | Calculated Property |
| η | 0.0032909 | Pa×s | 330.28 | Calculated Property |
| η | 0.0019034 | Pa×s | 357.10 | Calculated Property |
| η | 0.0011884 | Pa×s | 383.92 | Calculated Property |
| η | 0.0007891 | Pa×s | 410.73 | Calculated Property |
| η | 0.0005509 | Pa×s | 437.55 | Calculated Property |
| η | 0.0004009 | Pa×s | 464.37 | Calculated Property |
| η | 0.0003020 | Pa×s | 491.18 | Calculated Property |
| η | 0.0002343 | Pa×s | 518.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [445.42; 616.82] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.74579e+01 | |||
| Coefficient B | -7.11540e+03 | |||
| Coefficient C | -3.10220e+01 | |||
| Temperature range, min. | 445.42 | |||
| Temperature range, max. | 616.82 | |||
| Pvap | 1.33 | kPa | 445.42 | Calculated Property |
| Pvap | 2.83 | kPa | 464.46 | Calculated Property |
| Pvap | 5.66 | kPa | 483.51 | Calculated Property |
| Pvap | 10.68 | kPa | 502.55 | Calculated Property |
| Pvap | 19.18 | kPa | 521.60 | Calculated Property |
| Pvap | 32.97 | kPa | 540.64 | Calculated Property |
| Pvap | 54.53 | kPa | 559.69 | Calculated Property |
| Pvap | 87.07 | kPa | 578.73 | Calculated Property |
| Pvap | 134.73 | kPa | 597.78 | Calculated Property |
| Pvap | 202.63 | kPa | 616.82 | Calculated Property |
| Pvap | [0.14; 101.56] | kPa | [398.50; 578.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.80113e+01 | |||
| Coefficient B | -7.29442e+03 | |||
| Coefficient C | -3.39600e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 398.50 | |||
| Temperature range, max. | 578.70 | |||
| Pvap | 0.14 | kPa | 398.50 | Calculated Property |
| Pvap | 0.38 | kPa | 418.52 | Calculated Property |
| Pvap | 0.98 | kPa | 438.54 | Calculated Property |
| Pvap | 2.30 | kPa | 458.57 | Calculated Property |
| Pvap | 4.98 | kPa | 478.59 | Calculated Property |
| Pvap | 10.10 | kPa | 498.61 | Calculated Property |
| Pvap | 19.32 | kPa | 518.63 | Calculated Property |
| Pvap | 35.10 | kPa | 538.66 | Calculated Property |
| Pvap | 60.93 | kPa | 558.68 | Calculated Property |
| Pvap | 101.56 | kPa | 578.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Decanedioic acid, diethyl ester.
Mixtures
- Decanedioic acid, diethyl ester + Formic acid + Water
- Decanedioic acid, diethyl ester + Ethanedioic acid + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Modeling phase equilibria of ternary systems (water + formic acid + ester or alcohol) through UNIFAC-original, SERLAS, NRTL, NRTL-modified, and three-suffix Margules: Parameter estimation using genetic algorithm
- Vapor-liquid critical temperatures and pressures of dicarboxylic acid diethyl esters
- Comparison of Extractability of Oxalic Acid from Dilute Aqueous Solutions Using Dioctylamine and Trioctylphosphine Oxide
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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