- InChI
- InChI=1S/C17H12Cl4O4/c18-11-3-1-10(2-4-11)9-24-15(22)5-6-16(23)25-17-13(20)7-12(19)8-14(17)21/h1-4,7-8H,5-6,9H2
- InChI Key
- YDOCGTSXTJFLKZ-UHFFFAOYSA-N
- Formula
- C17H12Cl4O4
- SMILES
-
O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl
)OCc1ccc(Cl)cc1 - Molecular Weight1
- 422.09
- 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° | -237.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.49 | kJ/mol | Joback Calculated Property |
| log10WS | -6.75 | Crippen Calculated Property | |
| logPoct/wat | 5.729 | Crippen Calculated Property | |
| McVol | 266.710 | ml/mol | McGowan Calculated Property |
| Pc | 1883.80 | kPa | Joback Calculated Property |
| Inp | [3016.00; 3016.00] |
|
|
| Inp | 3016.00 | NIST | |
| Inp | 3016.00 | NIST | |
| Tboil | 963.94 | K | Joback Calculated Property |
| Tc | 1208.81 | K | Joback Calculated Property |
| Tfus | 648.27 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.12; 718.54] | J/mol×K | [963.94; 1208.81] |
|
| Cp,gas | 688.12 | J/mol×K | 963.94 | Joback Calculated Property |
| Cp,gas | 696.16 | J/mol×K | 1004.75 | Joback Calculated Property |
| Cp,gas | 702.98 | J/mol×K | 1045.56 | Joback Calculated Property |
| Cp,gas | 708.60 | J/mol×K | 1086.37 | Joback Calculated Property |
| Cp,gas | 713.06 | J/mol×K | 1127.19 | Joback Calculated Property |
| Cp,gas | 716.37 | J/mol×K | 1168.00 | Joback Calculated Property |
| Cp,gas | 718.54 | J/mol×K | 1208.81 | Joback Calculated Property |
| η | [0.0000498; 0.0002501] | Pa×s | [648.27; 963.94] |
|
| η | 0.0002501 | Pa×s | 648.27 | Joback Calculated Property |
| η | 0.0001728 | Pa×s | 700.88 | Joback Calculated Property |
| η | 0.0001257 | Pa×s | 753.49 | Joback Calculated Property |
| η | 0.0000953 | Pa×s | 806.11 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 858.72 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 911.33 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 963.94 | Joback Calculated Property |
Similar Compounds
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Sources
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