- InChI
- InChI=1S/C19H27ClO4/c1-4-5-6-8-15(3)23-18(21)9-7-10-19(22)24-17-13-14(2)11-12-16(17)20/h11-13,15H,4-10H2,1-3H3
- InChI Key
- QCEWMLURKLBRAE-UHFFFAOYSA-N
- Formula
- C19H27ClO4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1cc(C
)ccc1Cl - Molecular Weight1
- 354.87
- 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 | -876.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.54 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 281.930 | ml/mol | McGowan Calculated Property |
| Inp | [2426.00; 2426.00] |
|
|
| Inp | 2426.00 | NIST | |
| Inp | 2426.00 | NIST | |
| Tboil | 625.96 | 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 | [402.15; 899.98] | 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 | 4.23370e+01 | |||
| Coefficient B | 1.51406e+00 | |||
| Coefficient C | -7.41320e-04 | |||
| Coefficient D | 8.49000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 402.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 488.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 567.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 637.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 699.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 753.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 800.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 840.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 873.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 899.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007669; 0.0000672] | Pa×s | [454.93; 718.60] |
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 | -1.38092e+01 | |||
| Coefficient B | 3.01896e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 454.93 | |||
| Temperature range, max. | 718.60 | |||
| η | 0.0007669 | Pa×s | 454.93 | Calculated Property |
| η | 0.0005133 | Pa×s | 484.23 | Calculated Property |
| η | 0.0003597 | Pa×s | 513.52 | Calculated Property |
| η | 0.0002619 | Pa×s | 542.82 | Calculated Property |
| η | 0.0001970 | Pa×s | 572.12 | Calculated Property |
| η | 0.0001523 | Pa×s | 601.42 | Calculated Property |
| η | 0.0001206 | Pa×s | 630.71 | Calculated Property |
| η | 0.0000976 | Pa×s | 660.01 | Calculated Property |
| η | 0.0000803 | Pa×s | 689.31 | Calculated Property |
| η | 0.0000672 | Pa×s | 718.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2-chloro-5-methylphenyl 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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