- InChI
- InChI=1S/C20H30O4/c1-14(2)12-23-18(21)16-7-9-17(10-8-16)19(22)24-13-15(3)11-20(4,5)6/h7-10,14-15H,11-13H2,1-6H3
- InChI Key
- XHBOCIJROFKOCX-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CC(C)COC(=O)c1ccc(C(=O)OCC(C)C
C(C)(C)C)cc1 - Molecular Weight1
- 334.45
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -249.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -739.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.29 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 4.729 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1376.84 | kPa | Joback Calculated Property |
| Inp | [2352.00; 2352.00] |
|
|
| Inp | 2352.00 | NIST | |
| Inp | 2352.00 | NIST | |
| Tboil | 837.13 | K | Joback Calculated Property |
| Tc | 1046.77 | K | Joback Calculated Property |
| Tfus | 470.84 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.79; 962.05] | J/mol×K | [837.13; 1046.77] |
|
| Cp,gas | 879.79 | J/mol×K | 837.13 | Joback Calculated Property |
| Cp,gas | 896.41 | J/mol×K | 872.07 | Joback Calculated Property |
| Cp,gas | 911.81 | J/mol×K | 907.01 | Joback Calculated Property |
| Cp,gas | 926.03 | J/mol×K | 941.95 | Joback Calculated Property |
| Cp,gas | 939.11 | J/mol×K | 976.89 | Joback Calculated Property |
| Cp,gas | 951.11 | J/mol×K | 1011.83 | Joback Calculated Property |
| Cp,gas | 962.05 | J/mol×K | 1046.77 | Joback Calculated Property |
| η | [0.0000365; 0.0007329] | Pa×s | [470.84; 837.13] |
|
| η | 0.0007329 | Pa×s | 470.84 | Joback Calculated Property |
| η | 0.0003336 | Pa×s | 531.89 | Joback Calculated Property |
| η | 0.0001786 | Pa×s | 592.94 | Joback Calculated Property |
| η | 0.0001074 | Pa×s | 653.99 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 715.03 | Joback Calculated Property |
| η | 0.0000494 | Pa×s | 776.08 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 837.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, isobutyl 2,4,4-trimethylpentyl ester.
Sources
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