- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 49.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.950 | Crippen Calculated Property | |
| McVol | 270.410 | ml/mol | McGowan Calculated Property |
| Inp | 3155.00 | NIST | |
| Tboil | 669.62 | K | Relay (1.0) Calculated Property |
| Tfus | 314.29 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [759.70; 808.95] | J/mol×K | [888.94; 1118.30] | 
|
| Cp,gas | 759.70 | J/mol×K | 888.94 | Joback Calculated Property |
| Cp,gas | 771.11 | J/mol×K | 927.17 | Joback Calculated Property |
| Cp,gas | 781.18 | J/mol×K | 965.39 | Joback Calculated Property |
| Cp,gas | 789.96 | J/mol×K | 1003.62 | Joback Calculated Property |
| Cp,gas | 797.49 | J/mol×K | 1041.85 | Joback Calculated Property |
| Cp,gas | 803.81 | J/mol×K | 1080.07 | Joback Calculated Property |
| Cp,gas | 808.95 | J/mol×K | 1118.30 | Joback Calculated Property |
| η | [0.0000373; 0.0004404] | Pa×s | [526.27; 888.94] |
|
| η | 0.0004404 | Pa×s | 526.27 | Joback Calculated Property |
| η | 0.0002360 | Pa×s | 586.71 | Joback Calculated Property |
| η | 0.0001421 | Pa×s | 647.16 | Joback Calculated Property |
| η | 0.0000933 | Pa×s | 707.60 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 768.05 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 828.49 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 888.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(3-chlorobenzyl) ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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