- InChI
- InChI=1S/C14H16Cl2O3/c1-3-14(4-2,12(16)17)13(18)19-9-10-6-5-7-11(15)8-10/h5-8H,3-4,9H2,1-2H3
- InChI Key
- KSCQBHVFCHRFAB-UHFFFAOYSA-N
- Formula
- C14H16Cl2O3
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)OCc1cccc(
Cl)c1 - Molecular Weight1
- 303.18
- 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° | -214.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.07 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 3.955 | Crippen Calculated Property | |
| McVol | 217.850 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Inp | 1934.00 | NIST | |
| Tboil | 753.17 | K | Joback Calculated Property |
| Tc | 977.79 | K | Joback Calculated Property |
| Tfus | 470.83 | K | Joback Calculated Property |
| Vc | 0.829 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.97; 629.96] | J/mol×K | [753.17; 977.79] | 
|
| Cp,gas | 566.97 | J/mol×K | 753.17 | Joback Calculated Property |
| Cp,gas | 579.78 | J/mol×K | 790.61 | Joback Calculated Property |
| Cp,gas | 591.60 | J/mol×K | 828.04 | Joback Calculated Property |
| Cp,gas | 602.47 | J/mol×K | 865.48 | Joback Calculated Property |
| Cp,gas | 612.45 | J/mol×K | 902.92 | Joback Calculated Property |
| Cp,gas | 621.60 | J/mol×K | 940.35 | Joback Calculated Property |
| Cp,gas | 629.96 | J/mol×K | 977.79 | Joback Calculated Property |
| η | [0.0001026; 0.0009599] | Pa×s | [470.83; 753.17] |
|
| η | 0.0009599 | Pa×s | 470.83 | Joback Calculated Property |
| η | 0.0005583 | Pa×s | 517.89 | Joback Calculated Property |
| η | 0.0003554 | Pa×s | 564.94 | Joback Calculated Property |
| η | 0.0002425 | Pa×s | 612.00 | Joback Calculated Property |
| η | 0.0001747 | Pa×s | 659.06 | Joback Calculated Property |
| η | 0.0001315 | Pa×s | 706.11 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 753.17 | Joback Calculated Property |
Similar Compounds
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Sources
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