- InChI
- InChI=1S/C16H18Cl2O4/c17-12-7-3-8-13(16(12)18)22-15(20)10-4-9-14(19)21-11-5-1-2-6-11/h3,7-8,11H,1-2,4-6,9-10H2
- InChI Key
- CBNMCNDEPNFZAG-UHFFFAOYSA-N
- Formula
- C16H18Cl2O4
- SMILES
-
O=C(CCCC(=O)OC1CCCC1)Oc1cccc(C
l)c1Cl - Molecular Weight1
- 345.22
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -763.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.08 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.555 | Crippen Calculated Property | |
| McVol | 241.040 | ml/mol | McGowan Calculated Property |
| Inp | [2512.00; 2512.00] |
|
|
| Inp | 2512.00 | NIST | |
| Inp | 2512.00 | NIST | |
| Tfus | 314.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [319.00; 736.23] | 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 | -8.47000e-01 | |||
| Coefficient B | 1.36160e+00 | |||
| Coefficient C | -7.22720e-04 | |||
| Coefficient D | 9.82000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 319.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 394.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 462.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 522.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 574.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 620.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 658.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 690.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 716.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 736.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009163; 0.0001247] | Pa×s | [476.94; 724.89] |
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 | -1.28258e+01 | |||
| Coefficient B | 2.78088e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 476.94 | |||
| Temperature range, max. | 724.89 | |||
| η | 0.0009163 | Pa×s | 476.94 | Calculated Property |
| η | 0.0006664 | Pa×s | 504.49 | Calculated Property |
| η | 0.0005010 | Pa×s | 532.04 | Calculated Property |
| η | 0.0003873 | Pa×s | 559.59 | Calculated Property |
| η | 0.0003067 | Pa×s | 587.14 | Calculated Property |
| η | 0.0002481 | Pa×s | 614.69 | Calculated Property |
| η | 0.0002043 | Pa×s | 642.24 | Calculated Property |
| η | 0.0001710 | Pa×s | 669.79 | Calculated Property |
| η | 0.0001451 | Pa×s | 697.34 | Calculated Property |
| η | 0.0001247 | Pa×s | 724.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclopentyl 2,3-dichlorophenyl 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
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