- InChI
- InChI=1S/C20H30O4/c1-6-7-8-9-13-23-18(21)16-11-10-12-17(14-16)19(22)24-15(2)20(3,4)5/h10-12,14-15H,6-9,13H2,1-5H3
- InChI Key
- GYEUYTUDVHNSIQ-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OC(C)C
(C)(C)C)c1 - Molecular Weight1
- 334.45
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8907 | Relay (... Calculated Property | |
| ΔfG° | -247.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -863.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.87 | kJ/mol | Relay (... Calculated Property |
| IE | 9.22 | eV | Relay (... Calculated Property |
| log10WS | -5.77 | Relay (... Calculated Property | |
| logPoct/wat | 5.015 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1368.70 | kPa | Joback Calculated Property |
| Inp | 2289.00 | NIST | |
| Tboil | 625.12 | K | Relay (... Calculated Property |
| Tc | 825.88 | K | Relay (... Calculated Property |
| Tfus | 314.92 | K | Relay (... Calculated Property |
| Vc | 1.043 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.27; 961.05] | J/mol×K | [837.57; 1044.90] | 
|
| Cp,gas | 879.27 | J/mol×K | 837.57 | Joback Calculated Property |
| Cp,gas | 895.72 | J/mol×K | 872.13 | Joback Calculated Property |
| Cp,gas | 910.98 | J/mol×K | 906.68 | Joback Calculated Property |
| Cp,gas | 925.11 | J/mol×K | 941.24 | Joback Calculated Property |
| Cp,gas | 938.13 | J/mol×K | 975.79 | Joback Calculated Property |
| Cp,gas | 950.10 | J/mol×K | 1010.35 | Joback Calculated Property |
| Cp,gas | 961.05 | J/mol×K | 1044.90 | Joback Calculated Property |
| η | [0.0000398; 0.0006273] | Pa×s | [485.84; 837.57] |
|
| η | 0.0006273 | Pa×s | 485.84 | Joback Calculated Property |
| η | 0.0003093 | Pa×s | 544.46 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 603.08 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 661.70 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 720.33 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 778.95 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 837.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl hexyl ester.
Sources
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