- InChI
- InChI=1S/C19H27ClO4/c1-3-4-5-7-15(2)24-19(22)9-6-8-18(21)23-14-16-10-12-17(20)13-11-16/h10-13,15H,3-9,14H2,1-2H3
- InChI Key
- ASHXZMQJXRAYIL-UHFFFAOYSA-N
- Formula
- C19H27ClO4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OCc1ccc
(Cl)cc1 - 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -847.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.72 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.066 | Crippen Calculated Property | |
| McVol | 281.930 | ml/mol | McGowan Calculated Property |
| Inp | [2468.00; 2468.00] |
|
|
| Inp | 2468.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Tboil | 638.12 | 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 | [399.60; 903.02] | 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 | 2.80380e+01 | |||
| Coefficient B | 1.57354e+00 | |||
| Coefficient C | -8.08360e-04 | |||
| Coefficient D | 1.09800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 399.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 488.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 568.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 639.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 702.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 756.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 803.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 843.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 876.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 903.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009458; 0.0000673] | Pa×s | [442.41; 714.54] |
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 | -1.39032e+01 | |||
| Coefficient B | 3.07022e+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. | 442.41 | |||
| Temperature range, max. | 714.54 | |||
| η | 0.0009458 | Pa×s | 442.41 | Calculated Property |
| η | 0.0006067 | Pa×s | 472.65 | Calculated Property |
| η | 0.0004106 | Pa×s | 502.88 | Calculated Property |
| η | 0.0002904 | Pa×s | 533.12 | Calculated Property |
| η | 0.0002132 | Pa×s | 563.35 | Calculated Property |
| η | 0.0001615 | Pa×s | 593.59 | Calculated Property |
| η | 0.0001257 | Pa×s | 623.83 | Calculated Property |
| η | 0.0001001 | Pa×s | 654.06 | Calculated Property |
| η | 0.0000814 | Pa×s | 684.30 | Calculated Property |
| η | 0.0000673 | Pa×s | 714.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 4-chlorobenzyl 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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