- 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° | 24.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.09 | 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 | 1396.46 | kPa | Joback Calculated Property |
| Inp | 2138.00 | NIST | |
| Tboil | 606.57 | K | Relay (1.0) Calculated Property |
| Tc | 824.03 | K | Relay (1.0) Calculated Property |
| Tfus | 383.12 | 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 | [880.88; 964.74] | J/mol×K | [833.90; 1050.85] | 
|
| Cp,gas | 880.88 | J/mol×K | 833.90 | Joback Calculated Property |
| Cp,gas | 897.80 | J/mol×K | 870.06 | Joback Calculated Property |
| Cp,gas | 913.46 | J/mol×K | 906.22 | Joback Calculated Property |
| Cp,gas | 927.91 | J/mol×K | 942.37 | Joback Calculated Property |
| Cp,gas | 941.23 | J/mol×K | 978.53 | Joback Calculated Property |
| Cp,gas | 953.48 | J/mol×K | 1014.69 | Joback Calculated Property |
| Cp,gas | 964.74 | J/mol×K | 1050.85 | Joback Calculated Property |
| η | [0.0000290; 0.0006897] | Pa×s | [473.26; 833.90] |
|
| η | 0.0006897 | Pa×s | 473.26 | Joback Calculated Property |
| η | 0.0003019 | Pa×s | 533.37 | Joback Calculated Property |
| η | 0.0001562 | Pa×s | 593.47 | Joback Calculated Property |
| η | 0.0000913 | Pa×s | 653.58 | Joback Calculated Property |
| η | 0.0000584 | Pa×s | 713.69 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 773.79 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 833.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(3,3-dimethylbut-2-yl) ester.
Sources
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