- InChI
- InChI=1S/C20H22O5/c1-14(2)12-24-19(21)16-5-4-6-17(11-16)20(22)25-13-15-7-9-18(23-3)10-8-15/h4-11,14H,12-13H2,1-3H3
- InChI Key
- ZEOAXCLUOITMBJ-UHFFFAOYSA-N
- Formula
- C20H22O5
- SMILES
-
COc1ccc(COC(=O)c2cccc(C(=O)OCC
(C)C)c2)cc1 - Molecular Weight1
- 342.39
- 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° | -252.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 3.865 | Crippen Calculated Property | |
| McVol | 265.890 | ml/mol | McGowan Calculated Property |
| Pc | 1703.31 | kPa | Joback Calculated Property |
| Inp | [2793.00; 2793.00] |
|
|
| Inp | 2793.00 | NIST | |
| Inp | 2793.00 | NIST | |
| Tboil | 894.88 | K | Joback Calculated Property |
| Tc | 1121.27 | K | Joback Calculated Property |
| Tfus | 544.59 | K | Joback Calculated Property |
| Vc | 1.000 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [808.05; 867.92] | J/mol×K | [894.88; 1121.27] |
|
| Cp,gas | 808.05 | J/mol×K | 894.88 | Joback Calculated Property |
| Cp,gas | 821.54 | J/mol×K | 932.61 | Joback Calculated Property |
| Cp,gas | 833.60 | J/mol×K | 970.34 | Joback Calculated Property |
| Cp,gas | 844.26 | J/mol×K | 1008.08 | Joback Calculated Property |
| Cp,gas | 853.52 | J/mol×K | 1045.81 | Joback Calculated Property |
| Cp,gas | 861.40 | J/mol×K | 1083.54 | Joback Calculated Property |
| Cp,gas | 867.92 | J/mol×K | 1121.27 | Joback Calculated Property |
| η | [0.0000392; 0.0003522] | Pa×s | [544.59; 894.88] |
|
| η | 0.0003522 | Pa×s | 544.59 | Joback Calculated Property |
| η | 0.0002046 | Pa×s | 602.97 | Joback Calculated Property |
| η | 0.0001308 | Pa×s | 661.35 | Joback Calculated Property |
| η | 0.0000900 | Pa×s | 719.74 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 778.12 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 836.50 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 894.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 4-methoxybenzyl ester.
Sources
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