- InChI
- InChI=1S/C17H19Cl5O4/c1-3-4-5-6-9(2)25-10(23)7-8-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h9H,3-8H2,1-2H3
- InChI Key
- HPKKANURHIOVMQ-UHFFFAOYSA-N
- Formula
- C17H19Cl5O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)Oc1c(Cl)
c(Cl)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 464.60
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -857.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.23 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.151 | Crippen Calculated Property | |
| McVol | 302.710 | ml/mol | McGowan Calculated Property |
| Inp | [2827.00; 2827.00] |
|
|
| Inp | 2827.00 | NIST | |
| Inp | 2827.00 | NIST | |
| Tboil | 651.10 | 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 | [421.00; 820.76] | 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 | 1.38616e+02 | |||
| Coefficient B | 1.17274e+00 | |||
| Coefficient C | -5.13000e-04 | |||
| Coefficient D | 2.24000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 421.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 490.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 553.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 609.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 660.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 704.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 742.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 774.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 800.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 820.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002403; 0.0000493] | Pa×s | [589.63; 816.49] |
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 | -1.40358e+01 | |||
| Coefficient B | 3.36214e+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. | 589.63 | |||
| Temperature range, max. | 816.49 | |||
| η | 0.0002403 | Pa×s | 589.63 | Calculated Property |
| η | 0.0001902 | Pa×s | 614.84 | Calculated Property |
| η | 0.0001533 | Pa×s | 640.04 | Calculated Property |
| η | 0.0001257 | Pa×s | 665.25 | Calculated Property |
| η | 0.0001045 | Pa×s | 690.46 | Calculated Property |
| η | 0.0000880 | Pa×s | 715.67 | Calculated Property |
| η | 0.0000750 | Pa×s | 740.87 | Calculated Property |
| η | 0.0000646 | Pa×s | 766.08 | Calculated Property |
| η | 0.0000562 | Pa×s | 791.29 | Calculated Property |
| η | 0.0000493 | Pa×s | 816.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl pentachlorophenyl 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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