- InChI
- InChI=1S/C22H16Cl2O4/c1-13-6-8-17(23)19(10-13)27-21(25)15-4-3-5-16(12-15)22(26)28-20-11-14(2)7-9-18(20)24/h3-12H,1-2H3
- InChI Key
- TWTRJLJIQDYMBM-UHFFFAOYSA-N
- Formula
- C22H16Cl2O4
- SMILES
-
Cc1ccc(Cl)c(OC(=O)c2cccc(C(=O)
Oc3cc(C)ccc3Cl)c2)c1 - Molecular Weight1
- 415.27
- 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° | -68.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.79 | kJ/mol | Joback Calculated Property |
| log10WS | -7.97 | Crippen Calculated Property | |
| logPoct/wat | 6.049 | Crippen Calculated Property | |
| McVol | 288.920 | ml/mol | McGowan Calculated Property |
| Pc | 1744.82 | kPa | Joback Calculated Property |
| Inp | [3420.00; 3420.00] |
|
|
| Inp | 3420.00 | NIST | |
| Inp | 3420.00 | NIST | |
| Tboil | 1035.14 | K | Joback Calculated Property |
| Tc | 1292.95 | K | Joback Calculated Property |
| Tfus | 683.72 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.17; 851.70] | J/mol×K | [1035.14; 1292.95] |
|
| Cp,gas | 823.17 | J/mol×K | 1035.14 | Joback Calculated Property |
| Cp,gas | 831.58 | J/mol×K | 1078.11 | Joback Calculated Property |
| Cp,gas | 838.47 | J/mol×K | 1121.08 | Joback Calculated Property |
| Cp,gas | 843.89 | J/mol×K | 1164.05 | Joback Calculated Property |
| Cp,gas | 847.87 | J/mol×K | 1207.02 | Joback Calculated Property |
| Cp,gas | 850.45 | J/mol×K | 1249.98 | Joback Calculated Property |
| Cp,gas | 851.70 | J/mol×K | 1292.95 | Joback Calculated Property |
| η | [0.0000356; 0.0001839] | Pa×s | [683.72; 1035.14] |
|
| η | 0.0001839 | Pa×s | 683.72 | Joback Calculated Property |
| η | 0.0001256 | Pa×s | 742.29 | Joback Calculated Property |
| η | 0.0000907 | Pa×s | 800.86 | Joback Calculated Property |
| η | 0.0000685 | Pa×s | 859.43 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 918.00 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 976.57 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 1035.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(2-chloro-5-methylphenyl) ester.
Sources
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