- InChI
- InChI=1S/C20H30O4/c1-13(19(3,4)5)23-17(21)15-10-9-11-16(12-15)18(22)24-14(2)20(6,7)8/h9-14H,1-8H3
- InChI Key
- NCIPBKKHYNJWNP-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CC(OC(=O)c1cccc(C(=O)OC(C)C(C)
(C)C)c1)C(C)(C)C - Molecular Weight1
- 334.45
- 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 | -890.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.869 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1314.65 | kPa | Joback Calculated Property |
| Inp | 2138.00 | NIST | |
| Tboil | 606.57 | K | Relay (1.0) Calculated Property |
| Tc | 825.99 | K | Relay (1.0) Calculated Property |
| Tfus | 375.25 | 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 | [868.07; 953.16] | J/mol×K | [797.96; 1010.99] | 
|
| Cp,gas | 868.07 | J/mol×K | 797.96 | Joback Calculated Property |
| Cp,gas | 885.48 | J/mol×K | 833.47 | Joback Calculated Property |
| Cp,gas | 901.51 | J/mol×K | 868.97 | Joback Calculated Property |
| Cp,gas | 916.22 | J/mol×K | 904.48 | Joback Calculated Property |
| Cp,gas | 929.69 | J/mol×K | 939.98 | Joback Calculated Property |
| Cp,gas | 941.98 | J/mol×K | 975.49 | Joback Calculated Property |
| Cp,gas | 953.16 | J/mol×K | 1010.99 | Joback Calculated Property |
| η | [0.0000233; 0.0013902] | Pa×s | [413.60; 797.96] |
|
| η | 0.0013902 | Pa×s | 413.60 | Joback Calculated Property |
| η | 0.0004452 | Pa×s | 477.66 | Joback Calculated Property |
| η | 0.0001866 | Pa×s | 541.72 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 605.78 | Joback Calculated Property |
| η | 0.0000540 | Pa×s | 669.84 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 733.90 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 797.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(3,3-dimethylbut-2-yl) ester.
Sources
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