- InChI
- InChI=1S/C22H18O4/c1-2-25-21(23)17-11-8-12-18(15-17)22(24)26-20-14-7-6-13-19(20)16-9-4-3-5-10-16/h3-15H,2H2,1H3
- InChI Key
- OXWBJNLVOLBYDT-UHFFFAOYSA-N
- Formula
- C22H18O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2ccccc2-
c2ccccc2)c1 - Molecular Weight1
- 346.38
- 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° | -15.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -300.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.03 | kJ/mol | Joback Calculated Property |
| log10WS | -6.82 | Crippen Calculated Property | |
| logPoct/wat | 4.749 | Crippen Calculated Property | |
| McVol | 264.440 | ml/mol | McGowan Calculated Property |
| Pc | 1932.13 | kPa | Joback Calculated Property |
| Inp | [2803.00; 2803.00] |
|
|
| Inp | 2803.00 | NIST | |
| Inp | 2803.00 | NIST | |
| Tboil | 945.34 | K | Joback Calculated Property |
| Tc | 1195.68 | K | Joback Calculated Property |
| Tfus | 586.32 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [792.30; 843.14] | J/mol×K | [945.34; 1195.68] |
|
| Cp,gas | 792.30 | J/mol×K | 945.34 | Joback Calculated Property |
| Cp,gas | 804.30 | J/mol×K | 987.06 | Joback Calculated Property |
| Cp,gas | 814.80 | J/mol×K | 1028.79 | Joback Calculated Property |
| Cp,gas | 823.87 | J/mol×K | 1070.51 | Joback Calculated Property |
| Cp,gas | 831.57 | J/mol×K | 1112.24 | Joback Calculated Property |
| Cp,gas | 837.97 | J/mol×K | 1153.96 | Joback Calculated Property |
| Cp,gas | 843.14 | J/mol×K | 1195.68 | Joback Calculated Property |
| η | [0.0000448; 0.0003370] | Pa×s | [586.32; 945.34] |
|
| η | 0.0003370 | Pa×s | 586.32 | Joback Calculated Property |
| η | 0.0002060 | Pa×s | 646.16 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 705.99 | Joback Calculated Property |
| η | 0.0000969 | Pa×s | 765.83 | Joback Calculated Property |
| η | 0.0000722 | Pa×s | 825.67 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 885.50 | Joback Calculated Property |
| η | 0.0000448 | Pa×s | 945.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-biphenyl ethyl ester.
Sources
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