- InChI
- InChI=1S/C20H22O6/c1-13(2)12-25-19(21)14-7-5-8-15(11-14)20(22)26-18-16(23-3)9-6-10-17(18)24-4/h5-11,13H,12H2,1-4H3
- InChI Key
- REHYAMUUOSHTRP-UHFFFAOYSA-N
- Formula
- C20H22O6
- SMILES
-
COc1cccc(OC)c1OC(=O)c1cccc(C(=
O)OCC(C)C)c1 - Molecular Weight1
- 358.39
- 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° | -366.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.40 | kJ/mol | Joback Calculated Property |
| log10WS | -5.05 | Crippen Calculated Property | |
| logPoct/wat | 3.736 | Crippen Calculated Property | |
| McVol | 271.760 | ml/mol | McGowan Calculated Property |
| Pc | 1659.19 | kPa | Joback Calculated Property |
| Inp | [2791.00; 2791.00] |
|
|
| Inp | 2791.00 | NIST | |
| Inp | 2791.00 | NIST | |
| Tboil | 922.28 | K | Joback Calculated Property |
| Tc | 1148.95 | K | Joback Calculated Property |
| Tfus | 579.34 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [833.56; 884.84] | J/mol×K | [922.28; 1148.95] |
|
| Cp,gas | 833.56 | J/mol×K | 922.28 | Joback Calculated Property |
| Cp,gas | 846.05 | J/mol×K | 960.06 | Joback Calculated Property |
| Cp,gas | 856.97 | J/mol×K | 997.84 | Joback Calculated Property |
| Cp,gas | 866.33 | J/mol×K | 1035.61 | Joback Calculated Property |
| Cp,gas | 874.10 | J/mol×K | 1073.39 | Joback Calculated Property |
| Cp,gas | 880.27 | J/mol×K | 1111.17 | Joback Calculated Property |
| Cp,gas | 884.84 | J/mol×K | 1148.95 | Joback Calculated Property |
| η | [0.0000299; 0.0002222] | Pa×s | [579.34; 922.28] |
|
| η | 0.0002222 | Pa×s | 579.34 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 636.50 | Joback Calculated Property |
| η | 0.0000913 | Pa×s | 693.65 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 750.81 | Joback Calculated Property |
| η | 0.0000483 | Pa×s | 807.97 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 865.12 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 922.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dimethoxyphenyl isobutyl ester.
Sources
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