- InChI
- InChI=1S/C20H22O6/c1-4-5-12-25-19(21)14-8-6-9-15(13-14)20(22)26-18-16(23-2)10-7-11-17(18)24-3/h6-11,13H,4-5,12H2,1-3H3
- InChI Key
- MNXJPJLVENTFFS-UHFFFAOYSA-N
- Formula
- C20H22O6
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2c(OC)
cccc2OC)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° | -364.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.78 | kJ/mol | Joback Calculated Property |
| log10WS | -5.30 | Crippen Calculated Property | |
| logPoct/wat | 3.880 | Crippen Calculated Property | |
| McVol | 271.760 | ml/mol | McGowan Calculated Property |
| Pc | 1648.43 | kPa | Joback Calculated Property |
| Inp | [2843.00; 2843.00] |
|
|
| Inp | 2843.00 | NIST | |
| Inp | 2843.00 | NIST | |
| Tboil | 922.72 | K | Joback Calculated Property |
| Tc | 1147.10 | K | Joback Calculated Property |
| Tfus | 594.34 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [833.05; 884.51] | J/mol×K | [922.72; 1147.10] |
|
| Cp,gas | 833.05 | J/mol×K | 922.72 | Joback Calculated Property |
| Cp,gas | 845.45 | J/mol×K | 960.12 | Joback Calculated Property |
| Cp,gas | 856.34 | J/mol×K | 997.51 | Joback Calculated Property |
| Cp,gas | 865.70 | J/mol×K | 1034.91 | Joback Calculated Property |
| Cp,gas | 873.52 | J/mol×K | 1072.30 | Joback Calculated Property |
| Cp,gas | 879.80 | J/mol×K | 1109.70 | Joback Calculated Property |
| Cp,gas | 884.51 | J/mol×K | 1147.10 | Joback Calculated Property |
| η | [0.0000328; 0.0002081] | Pa×s | [594.34; 922.72] |
|
| η | 0.0002081 | Pa×s | 594.34 | Joback Calculated Property |
| η | 0.0001343 | Pa×s | 649.07 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 703.80 | Joback Calculated Property |
| η | 0.0000676 | Pa×s | 758.53 | Joback Calculated Property |
| η | 0.0000514 | Pa×s | 813.26 | Joback Calculated Property |
| η | 0.0000405 | Pa×s | 867.99 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 922.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 2,6-dimethoxyphenyl ester.
Sources
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