- InChI
- InChI=1S/C21H32O5/c1-17(2)16-25-20(22)10-8-6-4-5-7-9-11-21(23)26-19-14-12-18(24-3)13-15-19/h12-15,17H,4-11,16H2,1-3H3
- InChI Key
- FNOCFXGLQBSRHC-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
COc1ccc(OC(=O)CCCCCCCCC(=O)OCC
(C)C)cc1 - Molecular Weight1
- 364.48
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -987.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.921 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1175.24 | kPa | Joback Calculated Property |
| Inp | [2780.00; 2780.00] |
|
|
| Inp | 2780.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Tboil | 655.55 | K | Relay (1.0) Calculated Property |
| Tc | 852.66 | K | Relay (1.0) Calculated Property |
| Tfus | 325.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [953.59; 1031.27] | J/mol×K | [850.16; 1048.91] |
|
| Cp,gas | 953.59 | J/mol×K | 850.16 | Joback Calculated Property |
| Cp,gas | 969.78 | J/mol×K | 883.28 | Joback Calculated Property |
| Cp,gas | 984.66 | J/mol×K | 916.41 | Joback Calculated Property |
| Cp,gas | 998.23 | J/mol×K | 949.53 | Joback Calculated Property |
| Cp,gas | 1010.51 | J/mol×K | 982.66 | Joback Calculated Property |
| Cp,gas | 1021.52 | J/mol×K | 1015.78 | Joback Calculated Property |
| Cp,gas | 1031.27 | J/mol×K | 1048.91 | Joback Calculated Property |
| η | [0.0000251; 0.0006439] | Pa×s | [457.26; 850.16] |
|
| η | 0.0006439 | Pa×s | 457.26 | Joback Calculated Property |
| η | 0.0002673 | Pa×s | 522.74 | Joback Calculated Property |
| η | 0.0001349 | Pa×s | 588.23 | Joback Calculated Property |
| η | 0.0000781 | Pa×s | 653.71 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 719.19 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 784.68 | Joback Calculated Property |
| η | 0.0000251 | Pa×s | 850.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 4-methoxyphenyl ester.
Sources
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