- InChI
- InChI=1S/C17H23ClO4/c1-13(2)5-4-12-21-16(19)6-3-7-17(20)22-15-10-8-14(18)9-11-15/h8-11,13H,3-7,12H2,1-2H3
- InChI Key
- GUYIDAASEHGRHK-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)Oc1ccc(C
l)cc1 - Molecular Weight1
- 326.82
- 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).
- IE : Ionization energy (eV).
- 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 | -821.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.395 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Inp | [2372.00; 2372.00] |
|
|
| Inp | 2372.00 | NIST | |
| Inp | 2372.00 | NIST | |
| Tboil | 631.20 | 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, 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 | [357.17; 799.84] | 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 | 2.98560e+01 | |||
| Coefficient B | 1.38354e+00 | |||
| Coefficient C | -6.99560e-04 | |||
| Coefficient D | 8.60000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 357.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 435.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 506.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 568.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 624.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 672.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 713.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 748.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 777.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 799.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012020; 0.0000851] | Pa×s | [419.87; 683.48] |
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 | -1.35876e+01 | |||
| Coefficient B | 2.88190e+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. | 419.87 | |||
| Temperature range, max. | 683.48 | |||
| η | 0.0012020 | Pa×s | 419.87 | Calculated Property |
| η | 0.0007682 | Pa×s | 449.16 | Calculated Property |
| η | 0.0005187 | Pa×s | 478.45 | Calculated Property |
| η | 0.0003664 | Pa×s | 507.74 | Calculated Property |
| η | 0.0002689 | Pa×s | 537.03 | Calculated Property |
| η | 0.0002037 | Pa×s | 566.32 | Calculated Property |
| η | 0.0001586 | Pa×s | 595.61 | Calculated Property |
| η | 0.0001264 | Pa×s | 624.90 | Calculated Property |
| η | 0.0001028 | Pa×s | 654.19 | Calculated Property |
| η | 0.0000851 | Pa×s | 683.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-chlorophenyl isohexyl 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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