- InChI
- InChI=1S/C13H13Cl3O2/c14-9-6-11(16)12(7-10(9)15)18-13(17)8-4-2-1-3-5-8/h6-8H,1-5H2
- InChI Key
- OQAHIINXZJWKED-UHFFFAOYSA-N
- Formula
- C13H13Cl3O2
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)C1CCCC
C1 - Molecular Weight1
- 307.60
- 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° | -103.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.53 | kJ/mol | Joback Calculated Property |
| log10WS | -5.59 | Crippen Calculated Property | |
| logPoct/wat | 5.133 | Crippen Calculated Property | |
| McVol | 203.570 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | 2169.00 | NIST | |
| Tboil | 746.59 | K | Joback Calculated Property |
| Tc | 996.78 | K | Joback Calculated Property |
| Tfus | 469.55 | K | Joback Calculated Property |
| Vc | 0.759 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.72; 579.18] | J/mol×K | [746.59; 996.78] | 
|
| Cp,gas | 511.72 | J/mol×K | 746.59 | Joback Calculated Property |
| Cp,gas | 526.06 | J/mol×K | 788.29 | Joback Calculated Property |
| Cp,gas | 539.12 | J/mol×K | 829.99 | Joback Calculated Property |
| Cp,gas | 550.94 | J/mol×K | 871.69 | Joback Calculated Property |
| Cp,gas | 561.53 | J/mol×K | 913.39 | Joback Calculated Property |
| Cp,gas | 570.94 | J/mol×K | 955.09 | Joback Calculated Property |
| Cp,gas | 579.18 | J/mol×K | 996.78 | Joback Calculated Property |
| η | [0.0001359; 0.0009202] | Pa×s | [469.55; 746.59] |
|
| η | 0.0009202 | Pa×s | 469.55 | Joback Calculated Property |
| η | 0.0005800 | Pa×s | 515.72 | Joback Calculated Property |
| η | 0.0003944 | Pa×s | 561.90 | Joback Calculated Property |
| η | 0.0002844 | Pa×s | 608.07 | Joback Calculated Property |
| η | 0.0002147 | Pa×s | 654.24 | Joback Calculated Property |
| η | 0.0001682 | Pa×s | 700.42 | Joback Calculated Property |
| η | 0.0001359 | Pa×s | 746.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 2,4,5-trichlorophenyl ester.
Sources
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