- InChI
- InChI=1S/C16H12Cl2O4/c1-2-21-15(19)10-5-3-6-11(9-10)16(20)22-14-12(17)7-4-8-13(14)18/h3-9H,2H2,1H3
- InChI Key
- ZAFPHHSXVIVZJU-UHFFFAOYSA-N
- Formula
- C16H12Cl2O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2c(Cl)cc
cc2Cl)c1 - Molecular Weight1
- 339.17
- 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° | -211.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.83 | kJ/mol | Joback Calculated Property |
| log10WS | -5.59 | Crippen Calculated Property | |
| logPoct/wat | 4.389 | Crippen Calculated Property | |
| McVol | 228.140 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [2534.00; 2534.00] |
|
|
| Inp | 2534.00 | NIST | |
| Inp | 2534.00 | NIST | |
| Tboil | 861.22 | K | Joback Calculated Property |
| Tc | 1103.13 | K | Joback Calculated Property |
| Tfus | 564.64 | K | Joback Calculated Property |
| Vc | 0.862 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.64; 644.82] | J/mol×K | [861.22; 1103.13] |
|
| Cp,gas | 598.64 | J/mol×K | 861.22 | Joback Calculated Property |
| Cp,gas | 609.25 | J/mol×K | 901.54 | Joback Calculated Property |
| Cp,gas | 618.67 | J/mol×K | 941.86 | Joback Calculated Property |
| Cp,gas | 626.91 | J/mol×K | 982.17 | Joback Calculated Property |
| Cp,gas | 634.01 | J/mol×K | 1022.49 | Joback Calculated Property |
| Cp,gas | 639.97 | J/mol×K | 1062.81 | Joback Calculated Property |
| Cp,gas | 644.82 | J/mol×K | 1103.13 | Joback Calculated Property |
| η | [0.0000759; 0.0004213] | Pa×s | [564.64; 861.22] |
|
| η | 0.0004213 | Pa×s | 564.64 | Joback Calculated Property |
| η | 0.0002823 | Pa×s | 614.07 | Joback Calculated Property |
| η | 0.0002007 | Pa×s | 663.50 | Joback Calculated Property |
| η | 0.0001497 | Pa×s | 712.93 | Joback Calculated Property |
| η | 0.0001159 | Pa×s | 762.36 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 811.79 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 861.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dichlorophenyl ethyl ester.
Sources
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