- InChI
- InChI=1S/C23H20O4/c1-2-15-26-22(24)18-11-8-12-19(16-18)23(25)27-21-14-7-6-13-20(21)17-9-4-3-5-10-17/h3-14,16H,2,15H2,1H3
- InChI Key
- ZWOMGXOTRHADGC-UHFFFAOYSA-N
- Formula
- C23H20O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2ccccc2
-c2ccccc2)c1 - Molecular Weight1
- 360.40
- 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° | -7.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.26 | kJ/mol | Joback Calculated Property |
| log10WS | -7.24 | Crippen Calculated Property | |
| logPoct/wat | 5.140 | Crippen Calculated Property | |
| McVol | 278.530 | ml/mol | McGowan Calculated Property |
| Pc | 1778.84 | kPa | Joback Calculated Property |
| Inp | [2900.00; 2900.00] |
|
|
| Inp | 2900.00 | NIST | |
| Inp | 2900.00 | NIST | |
| Tboil | 968.22 | K | Joback Calculated Property |
| Tc | 1215.77 | K | Joback Calculated Property |
| Tfus | 597.59 | K | Joback Calculated Property |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.94; 900.77] | J/mol×K | [968.22; 1215.77] |
|
| Cp,gas | 849.94 | J/mol×K | 968.22 | Joback Calculated Property |
| Cp,gas | 861.92 | J/mol×K | 1009.48 | Joback Calculated Property |
| Cp,gas | 872.40 | J/mol×K | 1050.74 | Joback Calculated Property |
| Cp,gas | 881.46 | J/mol×K | 1091.99 | Joback Calculated Property |
| Cp,gas | 889.16 | J/mol×K | 1133.25 | Joback Calculated Property |
| Cp,gas | 895.58 | J/mol×K | 1174.51 | Joback Calculated Property |
| Cp,gas | 900.77 | J/mol×K | 1215.77 | Joback Calculated Property |
| η | [0.0000389; 0.0003043] | Pa×s | [597.59; 968.22] |
|
| η | 0.0003043 | Pa×s | 597.59 | Joback Calculated Property |
| η | 0.0001840 | Pa×s | 659.36 | Joback Calculated Property |
| η | 0.0001212 | Pa×s | 721.13 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 782.90 | Joback Calculated Property |
| η | 0.0000632 | Pa×s | 844.68 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 906.45 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 968.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-biphenyl propyl ester.
Sources
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