- InChI
- InChI=1S/C16H11Cl3O4/c1-2-22-15(20)9-4-3-5-10(6-9)16(21)23-14-12(18)7-11(17)8-13(14)19/h3-8H,2H2,1H3
- InChI Key
- FZSRBJKOTUCYHG-UHFFFAOYSA-N
- Formula
- C16H11Cl3O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2c(Cl)cc
(Cl)cc2Cl)c1 - Molecular Weight1
- 373.62
- 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° | -233.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.88 | kJ/mol | Joback Calculated Property |
| log10WS | -6.27 | Crippen Calculated Property | |
| logPoct/wat | 5.043 | Crippen Calculated Property | |
| McVol | 240.380 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | [2677.00; 2677.00] |
|
|
| Inp | 2677.00 | NIST | |
| Inp | 2677.00 | NIST | |
| Tboil | 903.63 | K | Joback Calculated Property |
| Tc | 1148.58 | K | Joback Calculated Property |
| Tfus | 607.08 | K | Joback Calculated Property |
| Vc | 0.910 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.69; 653.06] | J/mol×K | [903.63; 1148.58] |
|
| Cp,gas | 615.69 | J/mol×K | 903.63 | Joback Calculated Property |
| Cp,gas | 624.86 | J/mol×K | 944.45 | Joback Calculated Property |
| Cp,gas | 632.83 | J/mol×K | 985.28 | Joback Calculated Property |
| Cp,gas | 639.63 | J/mol×K | 1026.10 | Joback Calculated Property |
| Cp,gas | 645.26 | J/mol×K | 1066.93 | Joback Calculated Property |
| Cp,gas | 649.73 | J/mol×K | 1107.75 | Joback Calculated Property |
| Cp,gas | 653.06 | J/mol×K | 1148.58 | Joback Calculated Property |
| η | [0.0000671; 0.0003270] | Pa×s | [607.08; 903.63] |
|
| η | 0.0003270 | Pa×s | 607.08 | Joback Calculated Property |
| η | 0.0002274 | Pa×s | 656.50 | Joback Calculated Property |
| η | 0.0001664 | Pa×s | 705.93 | Joback Calculated Property |
| η | 0.0001268 | Pa×s | 755.36 | Joback Calculated Property |
| η | 0.0000999 | Pa×s | 804.78 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 854.20 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 903.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 2,4,6-trichlorophenyl ester.
Sources
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