- InChI
- InChI=1S/C25H31ClO4/c26-19-8-3-1-2-4-9-20-29-24(27)13-10-14-25(28)30-23-17-15-22(16-18-23)21-11-6-5-7-12-21/h5-7,11-12,15-18H,1-4,8-10,13-14,19-20H2
- InChI Key
- TZGPSJWHAVGYCI-UHFFFAOYSA-N
- Formula
- C25H31ClO4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(-c2ccccc2)c
c1)OCCCCCCCCCl - Molecular Weight1
- 430.96
- 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 | -738.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.95 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.552 | Crippen Calculated Property | |
| McVol | 342.710 | ml/mol | McGowan Calculated Property |
| Inp | [3496.00; 3496.00] |
|
|
| Inp | 3496.00 | NIST | |
| Inp | 3496.00 | NIST | |
| Tboil | 726.48 | 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 | [469.94; 1093.50] | 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 | -9.63900e+00 | |||
| Coefficient B | 2.05870e+00 | |||
| Coefficient C | -1.16276e-03 | |||
| Coefficient D | 2.07200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 469.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 582.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 682.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 770.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 848.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 915.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 972.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1021.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1061.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1093.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003131; 0.0000317] | Pa×s | [551.45; 845.84] |
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 | -1.46530e+01 | |||
| Coefficient B | 3.63078e+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. | 551.45 | |||
| Temperature range, max. | 845.84 | |||
| η | 0.0003131 | Pa×s | 551.45 | Calculated Property |
| η | 0.0002166 | Pa×s | 584.16 | Calculated Property |
| η | 0.0001558 | Pa×s | 616.87 | Calculated Property |
| η | 0.0001158 | Pa×s | 649.58 | Calculated Property |
| η | 0.0000886 | Pa×s | 682.29 | Calculated Property |
| η | 0.0000694 | Pa×s | 715.00 | Calculated Property |
| η | 0.0000556 | Pa×s | 747.71 | Calculated Property |
| η | 0.0000454 | Pa×s | 780.42 | Calculated Property |
| η | 0.0000376 | Pa×s | 813.13 | Calculated Property |
| η | 0.0000317 | Pa×s | 845.84 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-biphenyl 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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