- InChI
- InChI=1S/C16H20Cl2O4/c1-3-6-11(2)21-14(19)9-5-10-15(20)22-13-8-4-7-12(17)16(13)18/h4,7-8,11H,3,5-6,9-10H2,1-2H3
- InChI Key
- BYLGTUWKQKJHAI-UHFFFAOYSA-N
- Formula
- C16H20Cl2O4
- SMILES
-
CCCC(C)OC(=O)CCCC(=O)Oc1cccc(C
l)c1Cl - Molecular Weight1
- 347.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -821.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.801 | Crippen Calculated Property | |
| McVol | 251.900 | ml/mol | McGowan Calculated Property |
| Inp | [2488.00; 2488.00] |
|
|
| Inp | 2488.00 | NIST | |
| Inp | 2488.00 | NIST | |
| Tboil | 617.33 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.92; 753.48] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.79550e+01 | |||
| Coefficient B | 1.23584e+00 | |||
| Coefficient C | -5.98520e-04 | |||
| Coefficient D | 5.82000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 351.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 422.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 486.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 543.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 594.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 638.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 676.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 707.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 733.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 753.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008408; 0.0000842] | Pa×s | [451.04; 701.38] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35280e+01 | |||
| Coefficient B | 2.90780e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 451.04 | |||
| Temperature range, max. | 701.38 | |||
| η | 0.0008408 | Pa×s | 451.04 | Calculated Property |
| η | 0.0005782 | Pa×s | 478.86 | Calculated Property |
| η | 0.0004143 | Pa×s | 506.67 | Calculated Property |
| η | 0.0003073 | Pa×s | 534.49 | Calculated Property |
| η | 0.0002348 | Pa×s | 562.30 | Calculated Property |
| η | 0.0001840 | Pa×s | 590.12 | Calculated Property |
| η | 0.0001474 | Pa×s | 617.93 | Calculated Property |
| η | 0.0001204 | Pa×s | 645.75 | Calculated Property |
| η | 0.0000999 | Pa×s | 673.56 | Calculated Property |
| η | 0.0000842 | Pa×s | 701.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 2-pentyl 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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