- InChI
- InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
- InChI Key
- PYGXAGIECVVIOZ-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- CCCCOC(=O)CCCCCCCCC(=O)OCCCC
- Molecular Weight1
- 314.46
- CAS
- 109-43-3
- Other Names
-
- Bis(n-butyl) sebacate
- Butyl sebacate
- Decanedioic acid, 1,10-dibutyl ester
- Di(n-butyl) sebacate
- Dibutyl decanedioate
- Dibutyl sebacate
- Dibutyl sebacinate
- Dibutylester kyseliny sebakove
- Kodaflex DBS
- Monoplex dbs
- NSC 3893
- PX 404
- Plasthall DBS
- Polycizer DBS
- Reomol DBS
- Sebacic acid, dibutyl ester
- Staflex DBS
- Uniflex DBS
- decandioic acid, dibutyl ester
- n-Butyl sebacate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- n0 : Refractive Index.
- Inp : Non-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° | -367.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -904.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.80 ± 3.20 | kJ/mol | NIST |
| log10WS | [-3.90; -3.72] |
|
|
| log10WS | -3.72 | Aq. Sol... | |
| log10WS | -3.90 | Estimat... | |
| logPoct/wat | 4.794 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1227.70 | kPa | Joback Calculated Property |
| Inp | [2137.00; 2180.10] |
|
|
| Inp | 2169.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Inp | 2137.00 | NIST | |
| Inp | 2180.10 | NIST | |
| Inp | 2137.00 | NIST | |
| Inp | 2137.00 | NIST | |
| Tboil | 763.82 | K | Joback Calculated Property |
| Tc | 942.53 | K | Joback Calculated Property |
| Tfus | 262.65 | K | Aq. Sol... |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.49; 940.44] | J/mol×K | [763.82; 942.53] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 860 880 900 920 940 800 850 900 | ||||
| Cp,gas | 849.49 | J/mol×K | 763.82 | Joback Calculated Property |
| Cp,gas | 866.90 | J/mol×K | 793.61 | Joback Calculated Property |
| Cp,gas | 883.40 | J/mol×K | 823.39 | Joback Calculated Property |
| Cp,gas | 898.98 | J/mol×K | 853.18 | Joback Calculated Property |
| Cp,gas | 913.68 | J/mol×K | 882.96 | Joback Calculated Property |
| Cp,gas | 927.49 | J/mol×K | 912.75 | Joback Calculated Property |
| Cp,gas | 940.44 | J/mol×K | 942.53 | Joback Calculated Property |
| Cp,liquid | 619.00 | J/mol×K | 312.00 | NIST |
| η | [0.0000707; 0.0010365] | Pa×s | [436.94; 763.82] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 500 600 700 | ||||
| η | 0.0010365 | Pa×s | 436.94 | Joback Calculated Property |
| η | 0.0005169 | Pa×s | 491.42 | Joback Calculated Property |
| η | 0.0002962 | Pa×s | 545.90 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 600.38 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 654.86 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 709.34 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 763.82 | Joback Calculated Property |
| ΔvapH | [87.60; 106.40] | kJ/mol | [327.00; 500.00] |
|
| ΔvapH | 88.10 | kJ/mol | 327.00 | NIST |
| ΔvapH | 94.30 | kJ/mol | 460.50 | NIST |
| ΔvapH | 87.60 | kJ/mol | 466.00 | NIST |
| ΔvapH | 106.40 | kJ/mol | 500.00 | NIST |
| n0 | 1.44200 | 298.10 | Isobari... | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [480.55; 688.18] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47404e+01 | |||
| Coefficient B | -5.63216e+03 | |||
| Coefficient C | -9.08550e+01 | |||
| Temperature range, min. | 480.55 | |||
| Temperature range, max. | 688.18 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 550 600 650 | ||||
| Pvap | 1.33 | kPa | 480.55 | Calculated Property |
| Pvap | 2.99 | kPa | 503.62 | Calculated Property |
| Pvap | 6.16 | kPa | 526.69 | Calculated Property |
| Pvap | 11.79 | kPa | 549.76 | Calculated Property |
| Pvap | 21.22 | kPa | 572.83 | Calculated Property |
| Pvap | 36.19 | kPa | 595.90 | Calculated Property |
| Pvap | 58.90 | kPa | 618.97 | Calculated Property |
| Pvap | 92.04 | kPa | 642.04 | Calculated Property |
| Pvap | 138.75 | kPa | 665.11 | Calculated Property |
| Pvap | 202.65 | kPa | 688.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Decanedioic acid, dibutyl ester.
Mixtures
- Decanedioic acid, dibutyl ester + Maleic anhydride
- Decanedioic acid, dibutyl ester + Furfural + Water
- Decanedioic acid, dibutyl ester + Formic acid + Water
- Decanedioic acid, dibutyl ester + Water
- Decanedioic acid, dibutyl ester + Pentanoic acid, 4-oxo- + Water
Sources
- Crippen Method
- Isobaric vapor liquid equilibria of the binary system: Maleic anhydride + di-n-butylsebacate at 2.67, 5.33 and 8.00 kPa
- Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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