- InChI
- InChI=1S/C19H28O4/c1-13(2)8-7-11-22-18(20)16-9-6-10-17(12-16)19(21)23-15(5)14(3)4/h6,9-10,12-15H,7-8,11H2,1-5H3
- InChI Key
- GZXNSKQTDJVZHR-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)OC(C
)C(C)C)c1 - Molecular Weight1
- 320.42
- 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° | -263.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.481 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1467.98 | kPa | Joback Calculated Property |
| Inp | [2278.00; 2278.00] |
|
|
| Inp | 2278.00 | NIST | |
| Inp | 2278.00 | NIST | |
| Tboil | 817.04 | K | Joback Calculated Property |
| Tc | 1023.15 | K | Joback Calculated Property |
| Tfus | 442.15 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [820.65; 901.72] | J/mol×K | [817.04; 1023.15] |
|
| Cp,gas | 820.65 | J/mol×K | 817.04 | Joback Calculated Property |
| Cp,gas | 837.06 | J/mol×K | 851.39 | Joback Calculated Property |
| Cp,gas | 852.29 | J/mol×K | 885.74 | Joback Calculated Property |
| Cp,gas | 866.34 | J/mol×K | 920.09 | Joback Calculated Property |
| Cp,gas | 879.25 | J/mol×K | 954.45 | Joback Calculated Property |
| Cp,gas | 891.04 | J/mol×K | 988.80 | Joback Calculated Property |
| Cp,gas | 901.72 | J/mol×K | 1023.15 | Joback Calculated Property |
| η | [0.0000486; 0.0010191] | Pa×s | [442.15; 817.04] |
|
| η | 0.0010191 | Pa×s | 442.15 | Joback Calculated Property |
| η | 0.0004484 | Pa×s | 504.63 | Joback Calculated Property |
| η | 0.0002364 | Pa×s | 567.11 | Joback Calculated Property |
| η | 0.0001415 | Pa×s | 629.60 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 692.08 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 754.56 | Joback Calculated Property |
| η | 0.0000486 | Pa×s | 817.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl 3-methylbut-2-yl ester.
Sources
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