- InChI
- InChI=1S/C20H22O4/c1-4-15-8-5-6-11-18(15)24-20(22)17-10-7-9-16(12-17)19(21)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3
- InChI Key
- POKKUATZZIRARQ-UHFFFAOYSA-N
- Formula
- C20H22O4
- SMILES
-
CCc1ccccc1OC(=O)c1cccc(C(=O)OC
C(C)C)c1 - Molecular Weight1
- 326.39
- 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° | -147.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.62 | Crippen Calculated Property | |
| logPoct/wat | 4.281 | Crippen Calculated Property | |
| McVol | 260.020 | ml/mol | McGowan Calculated Property |
| Pc | 1727.46 | kPa | Joback Calculated Property |
| Inp | [2445.00; 2445.00] |
|
|
| Inp | 2445.00 | NIST | |
| Inp | 2445.00 | NIST | |
| Tboil | 872.46 | K | Joback Calculated Property |
| Tc | 1099.91 | K | Joback Calculated Property |
| Tfus | 522.36 | K | Joback Calculated Property |
| Vc | 0.982 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.90; 847.04] | J/mol×K | [872.46; 1099.91] |
|
| Cp,gas | 780.90 | J/mol×K | 872.46 | Joback Calculated Property |
| Cp,gas | 795.15 | J/mol×K | 910.37 | Joback Calculated Property |
| Cp,gas | 808.06 | J/mol×K | 948.28 | Joback Calculated Property |
| Cp,gas | 819.68 | J/mol×K | 986.18 | Joback Calculated Property |
| Cp,gas | 830.02 | J/mol×K | 1024.09 | Joback Calculated Property |
| Cp,gas | 839.13 | J/mol×K | 1062.00 | Joback Calculated Property |
| Cp,gas | 847.04 | J/mol×K | 1099.91 | Joback Calculated Property |
| η | [0.0000522; 0.0004963] | Pa×s | [522.36; 872.46] |
|
| η | 0.0004963 | Pa×s | 522.36 | Joback Calculated Property |
| η | 0.0002824 | Pa×s | 580.71 | Joback Calculated Property |
| η | 0.0001781 | Pa×s | 639.06 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 697.41 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 755.76 | Joback Calculated Property |
| η | 0.0000664 | Pa×s | 814.11 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 872.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-ethylphenyl isobutyl ester.
Sources
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