- InChI
- InChI=1S/C13H13Cl3O4/c14-10-3-1-9(2-4-10)7-19-12(17)5-6-13(18)20-8-11(15)16/h1-4,11H,5-8H2
- InChI Key
- SPVDDTWLOBNMJG-UHFFFAOYSA-N
- Formula
- C13H13Cl3O4
- SMILES
-
O=C(CCC(=O)OCC(Cl)Cl)OCc1ccc(C
l)cc1 - Molecular Weight1
- 339.60
- 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° | -344.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.510 | Crippen Calculated Property | |
| McVol | 221.870 | ml/mol | McGowan Calculated Property |
| Pc | 2141.36 | kPa | Joback Calculated Property |
| Inp | [2338.00; 2338.00] |
|
|
| Inp | 2338.00 | NIST | |
| Inp | 2338.00 | NIST | |
| Tboil | 792.93 | K | Joback Calculated Property |
| Tc | 1014.67 | K | Joback Calculated Property |
| Tfus | 494.29 | K | Joback Calculated Property |
| Vc | 0.845 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.79; 611.23] | J/mol×K | [792.93; 1014.67] |
|
| Cp,gas | 559.79 | J/mol×K | 792.93 | Joback Calculated Property |
| Cp,gas | 570.68 | J/mol×K | 829.89 | Joback Calculated Property |
| Cp,gas | 580.63 | J/mol×K | 866.84 | Joback Calculated Property |
| Cp,gas | 589.64 | J/mol×K | 903.80 | Joback Calculated Property |
| Cp,gas | 597.74 | J/mol×K | 940.76 | Joback Calculated Property |
| Cp,gas | 604.93 | J/mol×K | 977.72 | Joback Calculated Property |
| Cp,gas | 611.23 | J/mol×K | 1014.67 | Joback Calculated Property |
| η | [0.0000875; 0.0007418] | Pa×s | [494.29; 792.93] |
|
| η | 0.0007418 | Pa×s | 494.29 | Joback Calculated Property |
| η | 0.0004414 | Pa×s | 544.06 | Joback Calculated Property |
| η | 0.0002865 | Pa×s | 593.84 | Joback Calculated Property |
| η | 0.0001988 | Pa×s | 643.61 | Joback Calculated Property |
| η | 0.0001454 | Pa×s | 693.38 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 743.16 | Joback Calculated Property |
| η | 0.0000875 | Pa×s | 792.93 | Joback Calculated Property |
Similar Compounds
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Sources
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