- InChI
- InChI=1S/C15H15Cl3O4/c16-9-7-11(17)15(12(18)8-9)22-14(20)6-5-13(19)21-10-3-1-2-4-10/h7-8,10H,1-6H2
- InChI Key
- LZXGIVFGTIACRL-UHFFFAOYSA-N
- Formula
- C15H15Cl3O4
- SMILES
-
O=C(CCC(=O)OC1CCCC1)Oc1c(Cl)cc
(Cl)cc1Cl - Molecular Weight1
- 365.64
- 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 | -736.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.83 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.818 | Crippen Calculated Property | |
| McVol | 239.190 | ml/mol | McGowan Calculated Property |
| Inp | [2528.00; 2528.00] |
|
|
| Inp | 2528.00 | NIST | |
| Inp | 2528.00 | NIST | |
| Tfus | 328.92 | 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 | [313.75; 689.87] | 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 | 2.72520e+01 | |||
| Coefficient B | 1.21390e+00 | |||
| Coefficient C | -6.21680e-04 | |||
| Coefficient D | 7.04000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 313.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 382.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 443.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 497.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 544.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 585.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 620.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 649.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 672.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 689.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007135; 0.0001243] | Pa×s | [508.11; 743.23] |
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 | -1.27694e+01 | |||
| Coefficient B | 2.80678e+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. | 508.11 | |||
| Temperature range, max. | 743.23 | |||
| η | 0.0007135 | Pa×s | 508.11 | Calculated Property |
| η | 0.0005446 | Pa×s | 534.23 | Calculated Property |
| η | 0.0004263 | Pa×s | 560.36 | Calculated Property |
| η | 0.0003410 | Pa×s | 586.48 | Calculated Property |
| η | 0.0002781 | Pa×s | 612.61 | Calculated Property |
| η | 0.0002306 | Pa×s | 638.73 | Calculated Property |
| η | 0.0001940 | Pa×s | 664.85 | Calculated Property |
| η | 0.0001654 | Pa×s | 690.98 | Calculated Property |
| η | 0.0001426 | Pa×s | 717.10 | Calculated Property |
| η | 0.0001243 | Pa×s | 743.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl cyclopentyl 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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