- InChI
- InChI=1S/C21H22Cl2O4/c22-18-6-1-4-16(14-18)10-12-26-20(24)8-3-9-21(25)27-13-11-17-5-2-7-19(23)15-17/h1-2,4-7,14-15H,3,8-13H2
- InChI Key
- RCYRVAMFXOLEJV-UHFFFAOYSA-N
- Formula
- C21H22Cl2O4
- SMILES
-
O=C(CCCC(=O)OCCc1cccc(Cl)c1)OC
Cc1cccc(Cl)c1 - Molecular Weight1
- 409.30
- 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).
- 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° | 54.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.035 | Crippen Calculated Property | |
| McVol | 298.590 | ml/mol | McGowan Calculated Property |
| Tboil | 697.31 | K | Relay (1.0) Calculated Property |
| Tfus | 316.84 | 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 | [873.35; 922.79] | J/mol×K | [934.70; 1161.61] | 
|
| Cp,gas | 873.35 | J/mol×K | 934.70 | Joback Calculated Property |
| Cp,gas | 884.86 | J/mol×K | 972.52 | Joback Calculated Property |
| Cp,gas | 895.00 | J/mol×K | 1010.34 | Joback Calculated Property |
| Cp,gas | 903.82 | J/mol×K | 1048.15 | Joback Calculated Property |
| Cp,gas | 911.36 | J/mol×K | 1085.97 | Joback Calculated Property |
| Cp,gas | 917.67 | J/mol×K | 1123.79 | Joback Calculated Property |
| Cp,gas | 922.79 | J/mol×K | 1161.61 | Joback Calculated Property |
| η | [0.0000276; 0.0003490] | Pa×s | [548.81; 934.70] |
|
| η | 0.0003490 | Pa×s | 548.81 | Joback Calculated Property |
| η | 0.0001831 | Pa×s | 613.12 | Joback Calculated Property |
| η | 0.0001086 | Pa×s | 677.44 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 741.76 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 806.07 | Joback Calculated Property |
| η | 0.0000360 | Pa×s | 870.38 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 934.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-(3-chlorophenyl)ethyl) 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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