- InChI
- InChI=1S/C22H33ClO4/c1-3-4-5-6-7-8-10-18(2)27-22(25)12-9-11-21(24)26-17-19-13-15-20(23)16-14-19/h13-16,18H,3-12,17H2,1-2H3
- InChI Key
- UULGRTLYZFNJLJ-UHFFFAOYSA-N
- Formula
- C22H33ClO4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OCc1
ccc(Cl)cc1 - Molecular Weight1
- 396.95
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -910.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.51 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.236 | Crippen Calculated Property | |
| McVol | 324.200 | ml/mol | McGowan Calculated Property |
| Inp | [2783.00; 2783.00] |
|
|
| Inp | 2783.00 | NIST | |
| Inp | 2783.00 | NIST | |
| Tboil | 659.77 | K | Relay (1.0) Calculated Property |
| Tc | 859.52 | K | Relay (1.0) Calculated Property |
| Tfus | 285.98 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [463.24; 1057.79] | 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 | 2.53110e+01 | |||
| Coefficient B | 1.85854e+00 | |||
| Coefficient C | -9.71560e-04 | |||
| Coefficient D | 1.45500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 463.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 567.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 661.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 744.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 818.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 883.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 939.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 986.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1025.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1057.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006439; 0.0000452] | Pa×s | [476.22; 764.64] |
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 | -1.43882e+01 | |||
| Coefficient B | 3.35270e+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. | 476.22 | |||
| Temperature range, max. | 764.64 | |||
| η | 0.0006439 | Pa×s | 476.22 | Calculated Property |
| η | 0.0004131 | Pa×s | 508.27 | Calculated Property |
| η | 0.0002793 | Pa×s | 540.31 | Calculated Property |
| η | 0.0001974 | Pa×s | 572.36 | Calculated Property |
| η | 0.0001447 | Pa×s | 604.41 | Calculated Property |
| η | 0.0001094 | Pa×s | 636.45 | Calculated Property |
| η | 0.0000850 | Pa×s | 668.50 | Calculated Property |
| η | 0.0000676 | Pa×s | 700.55 | Calculated Property |
| η | 0.0000548 | Pa×s | 732.60 | Calculated Property |
| η | 0.0000452 | Pa×s | 764.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-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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