- InChI
- InChI=1S/C22H26O6/c1-15(2)8-7-13-27-21(23)16-9-5-10-17(14-16)22(24)28-20-18(25-3)11-6-12-19(20)26-4/h5-6,9-12,14-15H,7-8,13H2,1-4H3
- InChI Key
- KTNBULUUCNCXLA-UHFFFAOYSA-N
- Formula
- C22H26O6
- SMILES
-
COc1cccc(OC)c1OC(=O)c1cccc(C(=
O)OCCCC(C)C)c1 - Molecular Weight1
- 386.44
- 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° | -349.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.85 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 4.516 | Crippen Calculated Property | |
| McVol | 299.940 | ml/mol | McGowan Calculated Property |
| Pc | 1427.22 | kPa | Joback Calculated Property |
| Inp | [3010.00; 3010.00] |
|
|
| Inp | 3010.00 | NIST | |
| Inp | 3010.00 | NIST | |
| Tboil | 968.04 | K | Joback Calculated Property |
| Tc | 1194.73 | K | Joback Calculated Property |
| Tfus | 601.88 | K | Joback Calculated Property |
| Vc | 1.129 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [950.23; 998.67] | J/mol×K | [968.04; 1194.73] |
|
| Cp,gas | 950.23 | J/mol×K | 968.04 | Joback Calculated Property |
| Cp,gas | 962.52 | J/mol×K | 1005.82 | Joback Calculated Property |
| Cp,gas | 973.12 | J/mol×K | 1043.60 | Joback Calculated Property |
| Cp,gas | 982.05 | J/mol×K | 1081.38 | Joback Calculated Property |
| Cp,gas | 989.28 | J/mol×K | 1119.16 | Joback Calculated Property |
| Cp,gas | 994.82 | J/mol×K | 1156.94 | Joback Calculated Property |
| Cp,gas | 998.67 | J/mol×K | 1194.73 | Joback Calculated Property |
| η | [0.0000224; 0.0001798] | Pa×s | [601.88; 968.04] |
|
| η | 0.0001798 | Pa×s | 601.88 | Joback Calculated Property |
| η | 0.0001083 | Pa×s | 662.91 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 723.93 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 784.96 | Joback Calculated Property |
| η | 0.0000367 | Pa×s | 845.99 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 907.01 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 968.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dimethoxyphenyl isohexyl ester.
Sources
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