- 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.
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 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [921.46; 1012.80] | J/mol×K | [792.55; 982.50] | 
|
| Cp,gas | 921.46 | J/mol×K | 792.55 | Joback Calculated Property |
| Cp,gas | 939.68 | J/mol×K | 824.21 | Joback Calculated Property |
| Cp,gas | 956.66 | J/mol×K | 855.87 | Joback Calculated Property |
| Cp,gas | 972.44 | J/mol×K | 887.53 | Joback Calculated Property |
| Cp,gas | 987.04 | J/mol×K | 919.18 | Joback Calculated Property |
| Cp,gas | 1000.48 | J/mol×K | 950.84 | Joback Calculated Property |
| Cp,gas | 1012.80 | J/mol×K | 982.50 | Joback Calculated Property |
| η | [0.0000565; 0.0020228] | Pa×s | [411.02; 792.55] |
|
| η | 0.0020228 | Pa×s | 411.02 | Joback Calculated Property |
| η | 0.0007474 | Pa×s | 474.61 | Joback Calculated Property |
| η | 0.0003494 | Pa×s | 538.20 | Joback Calculated Property |
| η | 0.0001918 | Pa×s | 601.78 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 665.37 | Joback Calculated Property |
| η | 0.0000791 | Pa×s | 728.96 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 792.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, tetrahydrofurfuryl isobutyl ester.
Sources
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