- InChI
- InChI=1S/C19H34O5/c1-16(2)14-23-18(20)11-7-5-3-4-6-8-12-19(21)24-15-17-10-9-13-22-17/h16-17H,3-15H2,1-2H3
- InChI Key
- WRBACYGWQMVWFF-UHFFFAOYSA-N
- Formula
- C19H34O5
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCC1C
CCO1 - Molecular Weight1
- 342.47
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1134.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.67 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.029 | Crippen Calculated Property | |
| McVol | 288.460 | ml/mol | McGowan Calculated Property |
| Pc | 1228.56 | kPa | Joback Calculated Property |
| Inp | [2467.00; 2467.00] |
|
|
| Inp | 2467.00 | NIST | |
| Inp | 2467.00 | NIST | |
| Tboil | 639.45 | K | Relay (1.0) Calculated Property |
| Tc | 814.70 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [425.04; 1019.13] | 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 | -8.41000e+00 | |||
| Coefficient B | 1.83384e+00 | |||
| Coefficient C | -9.37300e-04 | |||
| Coefficient D | 1.31000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 425.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 528.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 622.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 705.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 779.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 844.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 899.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 947.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 987.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1019.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020228; 0.0001017] | Pa×s | [411.02; 687.75] |
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 | -1.36348e+01 | |||
| Coefficient B | 3.05451e+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. | 411.02 | |||
| Temperature range, max. | 687.75 | |||
| η | 0.0020228 | Pa×s | 411.02 | Calculated Property |
| η | 0.0012059 | Pa×s | 441.77 | Calculated Property |
| η | 0.0007690 | Pa×s | 472.52 | Calculated Property |
| η | 0.0005181 | Pa×s | 503.26 | Calculated Property |
| η | 0.0003653 | Pa×s | 534.01 | Calculated Property |
| η | 0.0002675 | Pa×s | 564.76 | Calculated Property |
| η | 0.0002023 | Pa×s | 595.51 | Calculated Property |
| η | 0.0001573 | Pa×s | 626.26 | Calculated Property |
| η | 0.0001252 | Pa×s | 657.00 | Calculated Property |
| η | 0.0001017 | Pa×s | 687.75 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, tetrahydrofurfuryl isobutyl ester.
Sources
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