- InChI
- InChI=1S/C12H13Cl3O3/c1-8-7-9(13)3-4-10(8)17-5-6-18-11(16)12(2,14)15/h3-4,7H,5-6H2,1-2H3
- InChI Key
- YXRNUAFSOKLXCL-UHFFFAOYSA-N
- Formula
- C12H13Cl3O3
- SMILES
-
Cc1cc(Cl)ccc1OCCOC(=O)C(C)(Cl)
Cl - Molecular Weight1
- 311.59
- CAS
- 100120-21-6
- 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).
- 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° | -228.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.20 | Crippen Calculated Property | |
| logPoct/wat | 3.764 | Crippen Calculated Property | |
| McVol | 206.210 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Tboil | 718.37 | K | Joback Calculated Property |
| Tc | 945.73 | K | Joback Calculated Property |
| Tfus | 463.03 | K | Joback Calculated Property |
| Vc | 0.777 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.80; 556.47] | J/mol×K | [718.37; 945.73] | 
|
| Cp,gas | 497.80 | J/mol×K | 718.37 | Joback Calculated Property |
| Cp,gas | 509.78 | J/mol×K | 756.26 | Joback Calculated Property |
| Cp,gas | 520.84 | J/mol×K | 794.16 | Joback Calculated Property |
| Cp,gas | 531.01 | J/mol×K | 832.05 | Joback Calculated Property |
| Cp,gas | 540.32 | J/mol×K | 869.95 | Joback Calculated Property |
| Cp,gas | 548.80 | J/mol×K | 907.84 | Joback Calculated Property |
| Cp,gas | 556.47 | J/mol×K | 945.73 | Joback Calculated Property |
| η | [0.0000931; 0.0006938] | Pa×s | [463.03; 718.37] |
|
| η | 0.0006938 | Pa×s | 463.03 | Joback Calculated Property |
| η | 0.0004312 | Pa×s | 505.59 | Joback Calculated Property |
| η | 0.0002886 | Pa×s | 548.14 | Joback Calculated Property |
| η | 0.0002046 | Pa×s | 590.70 | Joback Calculated Property |
| η | 0.0001519 | Pa×s | 633.26 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 675.81 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 718.37 | Joback Calculated Property |
Similar Compounds
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Sources
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