- InChI
- InChI=1S/C20H29ClO4/c1-17-11-6-7-12-18(17)25-20(23)14-10-13-19(22)24-16-9-5-3-2-4-8-15-21/h6-7,11-12H,2-5,8-10,13-16H2,1H3
- InChI Key
- YWTSCUGHWDFDOJ-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
Cc1ccccc1OC(=O)CCCC(=O)OCCCCCC
CCCl - Molecular Weight1
- 368.89
- 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 | -866.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.193 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Inp | [2790.00; 2790.00] |
|
|
| Inp | 2790.00 | NIST | |
| Inp | 2790.00 | NIST | |
| Tboil | 649.52 | 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 | [421.13; 954.07] | 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 | 2.88110e+01 | |||
| Coefficient B | 1.66262e+00 | |||
| Coefficient C | -8.59560e-04 | |||
| Coefficient D | 1.22200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 421.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 514.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 599.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 674.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 740.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 798.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 848.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 890.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 925.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 954.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007042; 0.0000647] | Pa×s | [468.68; 729.85] |
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 | -1.39295e+01 | |||
| Coefficient B | 3.12656e+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. | 468.68 | |||
| Temperature range, max. | 729.85 | |||
| η | 0.0007042 | Pa×s | 468.68 | Calculated Property |
| η | 0.0004773 | Pa×s | 497.70 | Calculated Property |
| η | 0.0003376 | Pa×s | 526.72 | Calculated Property |
| η | 0.0002477 | Pa×s | 555.74 | Calculated Property |
| η | 0.0001873 | Pa×s | 584.75 | Calculated Property |
| η | 0.0001455 | Pa×s | 613.77 | Calculated Property |
| η | 0.0001156 | Pa×s | 642.79 | Calculated Property |
| η | 0.0000937 | Pa×s | 671.81 | Calculated Property |
| η | 0.0000773 | Pa×s | 700.83 | Calculated Property |
| η | 0.0000647 | Pa×s | 729.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 2-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
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