- InChI
- InChI=1S/C23H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-17-28-22(26)13-12-14-23(27)29-21-16-15-19(24)18-20(21)25/h10-11,15-16,18H,2-9,12-14,17H2,1H3/b11-10+
- InChI Key
- FLMAPWQXJMJHJB-ZHACJKMWSA-N
- Formula
- C23H32Cl2O4
- SMILES
-
CCCCCCCCC/C=C/COC(=O)CCCC(=O)O
c1ccc(Cl)cc1Cl - Molecular Weight1
- 443.41
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 65.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.309 | Crippen Calculated Property | |
| McVol | 346.230 | ml/mol | McGowan Calculated Property |
| Inp | [3162.00; 3162.00] |
|
|
| Inp | 3162.00 | NIST | |
| Inp | 3162.00 | NIST | |
| Tboil | 667.71 | K | Relay (1.0) Calculated Property |
| Tc | 899.14 | K | Relay (1.0) Calculated Property |
| Tfus | 300.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [486.72; 1083.49] | 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 | 3.90920e+01 | |||
| Coefficient B | 1.91492e+00 | |||
| Coefficient C | -1.05992e-03 | |||
| Coefficient D | 1.89400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 486.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 592.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 686.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 770.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 844.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 908.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 963.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1011.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1050.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1083.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002930; 0.0000316] | Pa×s | [539.85; 821.92] |
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 | -1.46285e+01 | |||
| Coefficient B | 3.50534e+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. | 539.85 | |||
| Temperature range, max. | 821.92 | |||
| η | 0.0002930 | Pa×s | 539.85 | Calculated Property |
| η | 0.0002052 | Pa×s | 571.19 | Calculated Property |
| η | 0.0001491 | Pa×s | 602.53 | Calculated Property |
| η | 0.0001118 | Pa×s | 633.87 | Calculated Property |
| η | 0.0000862 | Pa×s | 665.22 | Calculated Property |
| η | 0.0000680 | Pa×s | 696.56 | Calculated Property |
| η | 0.0000547 | Pa×s | 727.90 | Calculated Property |
| η | 0.0000449 | Pa×s | 759.24 | Calculated Property |
| η | 0.0000374 | Pa×s | 790.58 | Calculated Property |
| η | 0.0000316 | Pa×s | 821.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 2,4-dichlorophenyl 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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