- InChI
- InChI=1S/C22H42O6/c1-3-5-15-25-17-19-27-21(23)13-11-9-7-8-10-12-14-22(24)28-20-18-26-16-6-4-2/h3-20H2,1-2H3
- InChI Key
- KZBSIGKPGIZQJQ-UHFFFAOYSA-N
- Formula
- C22H42O6
- SMILES
-
CCCCOCCOC(=O)CCCCCCCCC(=O)OCCO
CCCC - Molecular Weight1
- 402.57
- CAS
- 141-19-5
- Other Names
-
- Dibutyoxyethyl sebacate
- Decanedioic acid, di-(2-butoxyethyl) ester
- di(Butoxyethyl) sebacate
- bis(2-butoxyethyl) sebacate
- bis(2-butoxyethyl) sebacoate
- 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).
- 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 | 1.1923 | Relay (1.0) Calculated Property | |
| ΔfG° | -696.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1351.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.827 | Crippen Calculated Property | |
| McVol | 347.460 | ml/mol | McGowan Calculated Property |
| Pc | 888.94 | kPa | Joback Calculated Property |
| Inp | [2700.00; 2700.00] |
|
|
| Inp | 2700.00 | NIST | |
| Inp | 2700.00 | NIST | |
| Inp | 2700.00 | NIST | |
| Tboil | 648.36 | K | Relay (1.0) Calculated Property |
| Tc | 811.53 | K | Relay (1.0) Calculated Property |
| Tfus | 254.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.340 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 120.30 | kJ/mol | 395.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [535.67; 1207.55] | 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 | 8.47080e+01 | |||
| Coefficient B | 1.85784e+00 | |||
| Coefficient C | -7.61800e-04 | |||
| Coefficient D | 2.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 535.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 647.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 750.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 843.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 927.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1001.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1066.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1122.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1169.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1207.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004843; 0.0000326] | Pa×s | [466.82; 740.87] |
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 | -1.49281e+01 | |||
| Coefficient B | 3.40558e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 466.82 | |||
| Temperature range, max. | 740.87 | |||
| η | 0.0004843 | Pa×s | 466.82 | Calculated Property |
| η | 0.0003098 | Pa×s | 497.27 | Calculated Property |
| η | 0.0002087 | Pa×s | 527.72 | Calculated Property |
| η | 0.0001467 | Pa×s | 558.17 | Calculated Property |
| η | 0.0001070 | Pa×s | 588.62 | Calculated Property |
| η | 0.0000805 | Pa×s | 619.07 | Calculated Property |
| η | 0.0000622 | Pa×s | 649.52 | Calculated Property |
| η | 0.0000492 | Pa×s | 679.97 | Calculated Property |
| η | 0.0000397 | Pa×s | 710.42 | Calculated Property |
| η | 0.0000326 | Pa×s | 740.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Decanedioic acid, bis(2-butoxyethyl) ester.
Sources
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