- InChI
- InChI=1S/C14H9Cl3O3/c1-19-9-4-2-8(3-5-9)14(18)20-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3
- InChI Key
- IGWHCSIAKZETGT-UHFFFAOYSA-N
- Formula
- C14H9Cl3O3
- SMILES
-
COc1ccc(C(=O)Oc2cc(Cl)c(Cl)cc2
Cl)cc1 - Molecular Weight1
- 331.58
- 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° | -121.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.68 | kJ/mol | Joback Calculated Property |
| log10WS | -5.73 | Crippen Calculated Property | |
| logPoct/wat | 4.875 | Crippen Calculated Property | |
| McVol | 210.630 | ml/mol | McGowan Calculated Property |
| Pc | 2398.22 | kPa | Joback Calculated Property |
| Inp | 2508.00 | NIST | |
| Tboil | 804.00 | K | Joback Calculated Property |
| Tc | 1052.68 | K | Joback Calculated Property |
| Tfus | 534.61 | K | Joback Calculated Property |
| Vc | 0.792 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.00; 549.98] | J/mol×K | [804.00; 1052.68] | 
|
| Cp,gas | 503.00 | J/mol×K | 804.00 | Joback Calculated Property |
| Cp,gas | 513.51 | J/mol×K | 845.45 | Joback Calculated Property |
| Cp,gas | 522.93 | J/mol×K | 886.89 | Joback Calculated Property |
| Cp,gas | 531.29 | J/mol×K | 928.34 | Joback Calculated Property |
| Cp,gas | 538.58 | J/mol×K | 969.78 | Joback Calculated Property |
| Cp,gas | 544.80 | J/mol×K | 1011.23 | Joback Calculated Property |
| Cp,gas | 549.98 | J/mol×K | 1052.68 | Joback Calculated Property |
| η | [0.0000898; 0.0004288] | Pa×s | [534.61; 804.00] |
|
| η | 0.0004288 | Pa×s | 534.61 | Joback Calculated Property |
| η | 0.0002987 | Pa×s | 579.51 | Joback Calculated Property |
| η | 0.0002192 | Pa×s | 624.41 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 669.31 | Joback Calculated Property |
| η | 0.0001326 | Pa×s | 714.20 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 759.10 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 804.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxybenzoic acid, 2,4,5-trichlorophenyl ester.
Sources
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