- InChI
- InChI=1S/C19H18Cl2O4/c20-16-6-1-4-14(10-16)12-24-18(22)8-3-9-19(23)25-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-11H,3,8-9,12-13H2
- InChI Key
- KQGHVTBGVFQLFL-UHFFFAOYSA-N
- Formula
- C19H18Cl2O4
- SMILES
-
O=C(CCCC(=O)OCc1cccc(Cl)c1)OCc
1cccc(Cl)c1 - Molecular Weight1
- 381.25
- 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° | -177.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.85 | kJ/mol | Joback Calculated Property |
| log10WS | -6.07 | Crippen Calculated Property | |
| logPoct/wat | 4.950 | Crippen Calculated Property | |
| McVol | 270.410 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | 3155.00 | NIST | |
| Tboil | 924.88 | K | Joback Calculated Property |
| Tc | 1158.00 | K | Joback Calculated Property |
| Tfus | 585.93 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.42; 816.89] | J/mol×K | [924.88; 1158.00] | 
|
| Cp,gas | 767.42 | J/mol×K | 924.88 | Joback Calculated Property |
| Cp,gas | 778.65 | J/mol×K | 963.73 | Joback Calculated Property |
| Cp,gas | 788.63 | J/mol×K | 1002.59 | Joback Calculated Property |
| Cp,gas | 797.41 | J/mol×K | 1041.44 | Joback Calculated Property |
| Cp,gas | 805.02 | J/mol×K | 1080.29 | Joback Calculated Property |
| Cp,gas | 811.51 | J/mol×K | 1119.14 | Joback Calculated Property |
| Cp,gas | 816.89 | J/mol×K | 1158.00 | Joback Calculated Property |
| η | [0.0000490; 0.0003501] | Pa×s | [585.93; 924.88] |
|
| η | 0.0003501 | Pa×s | 585.93 | Joback Calculated Property |
| η | 0.0002184 | Pa×s | 642.42 | Joback Calculated Property |
| η | 0.0001471 | Pa×s | 698.91 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 755.40 | Joback Calculated Property |
| η | 0.0000787 | Pa×s | 811.90 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 868.39 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 924.88 | Joback Calculated Property |
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Sources
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