- InChI
- InChI=1S/C16H17Cl3O4/c17-10-8-12(18)16(13(19)9-10)23-15(21)7-3-6-14(20)22-11-4-1-2-5-11/h8-9,11H,1-7H2
- InChI Key
- YFJYWQFLHUQBRA-UHFFFAOYSA-N
- Formula
- C16H17Cl3O4
- SMILES
-
O=C(CCCC(=O)OC1CCCC1)Oc1c(Cl)c
c(Cl)cc1Cl - Molecular Weight1
- 379.66
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -762.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.208 | Crippen Calculated Property | |
| McVol | 253.280 | ml/mol | McGowan Calculated Property |
| Inp | [2574.00; 2574.00] |
|
|
| Inp | 2574.00 | NIST | |
| Inp | 2574.00 | NIST | |
| Tfus | 326.14 | 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 | [334.96; 741.46] | 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 | 2.63430e+01 | |||
| Coefficient B | 1.30890e+00 | |||
| Coefficient C | -6.76080e-04 | |||
| Coefficient D | 8.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 334.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 408.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 474.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 532.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 583.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 628.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 665.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 697.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 722.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 741.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006456; 0.0001118] | Pa×s | [519.38; 757.09] |
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 | -1.29307e+01 | |||
| Coefficient B | 2.90094e+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. | 519.38 | |||
| Temperature range, max. | 757.09 | |||
| η | 0.0006456 | Pa×s | 519.38 | Calculated Property |
| η | 0.0004927 | Pa×s | 545.79 | Calculated Property |
| η | 0.0003855 | Pa×s | 572.20 | Calculated Property |
| η | 0.0003082 | Pa×s | 598.62 | Calculated Property |
| η | 0.0002512 | Pa×s | 625.03 | Calculated Property |
| η | 0.0002081 | Pa×s | 651.44 | Calculated Property |
| η | 0.0001749 | Pa×s | 677.85 | Calculated Property |
| η | 0.0001490 | Pa×s | 704.26 | Calculated Property |
| η | 0.0001284 | Pa×s | 730.67 | Calculated Property |
| η | 0.0001118 | Pa×s | 757.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclopentyl 2,4,6-trichlorophenyl 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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