- InChI
- InChI=1S/C20H34O6/c21-19(25-15-17-9-7-13-23-17)11-5-3-1-2-4-6-12-20(22)26-16-18-10-8-14-24-18/h17-18H,1-16H2
- InChI Key
- RHWOXBBBVFKHAN-UHFFFAOYSA-N
- Formula
- C20H34O6
- SMILES
-
O=C(CCCCCCCCC(=O)OCC1CCCO1)OCC
1CCCO1 - Molecular Weight1
- 370.49
- Cp,gas : Ideal gas 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1230.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.52 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 297.560 | ml/mol | McGowan Calculated Property |
| Inp | [2857.00; 2857.00] |
|
|
| Inp | 2857.00 | NIST | |
| Inp | 2857.00 | NIST | |
| Tboil | 671.75 | K | Relay (1.0) Calculated Property |
| Tfus | 295.77 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.70; 1073.00] | 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 | -5.08000e+01 | |||
| Coefficient B | 2.05160e+00 | |||
| Coefficient C | -1.10200e-03 | |||
| Coefficient D | 1.74200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 430.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 544.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 646.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 737.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 817.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 887.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 946.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 997.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1039.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1073.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014180; 0.0001197] | Pa×s | [474.76; 743.31] |
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 | -1.34012e+01 | |||
| Coefficient B | 3.24862e+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. | 474.76 | |||
| Temperature range, max. | 743.31 | |||
| η | 0.0014180 | Pa×s | 474.76 | Calculated Property |
| η | 0.0009461 | Pa×s | 504.60 | Calculated Property |
| η | 0.0006604 | Pa×s | 534.44 | Calculated Property |
| η | 0.0004789 | Pa×s | 564.28 | Calculated Property |
| η | 0.0003586 | Pa×s | 594.12 | Calculated Property |
| η | 0.0002761 | Pa×s | 623.95 | Calculated Property |
| η | 0.0002177 | Pa×s | 653.79 | Calculated Property |
| η | 0.0001753 | Pa×s | 683.63 | Calculated Property |
| η | 0.0001437 | Pa×s | 713.47 | Calculated Property |
| η | 0.0001197 | Pa×s | 743.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(tetrahydrofurfuryl) ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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