- 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 sebacinate
- Dibutylester kyseliny sebakove
- Kodaflex DBS
- Monoplex dbs
- NSC 3893
- PX 404
- Plasthall DBS
- Polycizer DBS
- Reomol DBS
- Staflex DBS
- Uniflex DBS
- decandioic acid, dibutyl ester
- dibutyl decanedioate
- dibutyl sebacate
- n-Butyl sebacate
- sebacic acid, dibutyl 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9811 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1032.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.80 ± 3.20 | kJ/mol | NIST |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.90; -3.72] |
|
|
| log10WS | -3.72 | Aq. Solubility Prediction | |
| log10WS | -3.90 | Estimated Solubility | |
| logPoct/wat | 4.794 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | 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 | |
| Inp | 2180.10 | NIST | |
| Tboil | 595.36 | K | Relay (1.0) Calculated Property |
| Tc | 761.87 | K | Relay (1.0) Calculated Property |
| Tfus | 262.65 | K | Aq. Solubility Prediction |
| Vc | 1.090 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 619.00 | J/mol×K | 312.00 | NIST |
| 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 | Isobaric vapor liquid equilibria of the binary system: Maleic anhydride + di-n-butylsebacate at 2.67, 5.33 and 8.00 kPa |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.00; 964.18] | 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 | 3.73440e+01 | |||
| Coefficient B | 1.60424e+00 | |||
| Coefficient C | -7.66200e-04 | |||
| Coefficient D | 8.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 420.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 512.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 597.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 672.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 740.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 799.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 851.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 896.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 933.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 964.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0495599; 0.0001020] | Pa×s | [262.65; 630.54] |
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 | -1.36071e+01 | |||
| Coefficient B | 2.78476e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 262.65 | |||
| Temperature range, max. | 630.54 | |||
| η | 0.0495599 | Pa×s | 262.65 | Calculated Property |
| η | 0.0118854 | Pa×s | 303.53 | Calculated Property |
| η | 0.0040004 | Pa×s | 344.40 | Calculated Property |
| η | 0.0016964 | Pa×s | 385.28 | Calculated Property |
| η | 0.0008481 | Pa×s | 426.16 | Calculated Property |
| η | 0.0004787 | Pa×s | 467.03 | Calculated Property |
| η | 0.0002962 | Pa×s | 507.91 | Calculated Property |
| η | 0.0001969 | Pa×s | 548.79 | Calculated Property |
| η | 0.0001385 | Pa×s | 589.66 | Calculated Property |
| η | 0.0001020 | Pa×s | 630.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [480.55; 688.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 | |||
| 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 |
| Pvap | [0.01; 1.15] | kPa | [401.60; 481.29] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40466e+01 | |||
| Coefficient B | -4.56685e+03 | |||
| Coefficient C | -1.52880e+02 | |||
| Reference | Hammer and Lydersen, 1957 | |||
| Temperature range, min. | 401.60 | |||
| Temperature range, max. | 481.29 | |||
| Pvap | 0.01 | kPa | 401.60 | Calculated Property |
| Pvap | 0.03 | kPa | 410.45 | Calculated Property |
| Pvap | 0.05 | kPa | 419.31 | Calculated Property |
| Pvap | 0.08 | kPa | 428.16 | Calculated Property |
| Pvap | 0.13 | kPa | 437.02 | Calculated Property |
| Pvap | 0.21 | kPa | 445.87 | Calculated Property |
| Pvap | 0.34 | kPa | 454.73 | Calculated Property |
| Pvap | 0.52 | kPa | 463.58 | Calculated Property |
| Pvap | 0.78 | kPa | 472.44 | Calculated Property |
| Pvap | 1.15 | kPa | 481.29 | 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
- Cheméo Relay (1.0)
- 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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