- InChI
- InChI=1S/C24H35ClO5/c1-3-4-5-6-7-8-9-10-11-12-18-29-23(26)14-13-15-24(27)30-21-17-16-20(25)19-22(21)28-2/h11-12,16-17,19H,3-10,13-15,18H2,1-2H3/b12-11+
- InChI Key
- HLZDGIOMLLNGET-VAWYXSNFSA-N
- Formula
- C24H35ClO5
- SMILES
-
CCCCCCCCC/C=C/COC(=O)CCCC(=O)O
c1ccc(Cl)cc1OC - Molecular Weight1
- 438.99
- 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).
- 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° | 65.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.55 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.664 | Crippen Calculated Property | |
| McVol | 353.950 | ml/mol | McGowan Calculated Property |
| Inp | [3161.00; 3161.00] |
|
|
| Inp | 3161.00 | NIST | |
| Inp | 3161.00 | NIST | |
| Tboil | 684.60 | K | Relay (1.0) Calculated Property |
| Tc | 896.53 | K | Relay (1.0) Calculated Property |
| Tfus | 315.21 | 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, 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 | [509.94; 1145.31] | 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 | 5.07920e+01 | |||
| Coefficient B | 1.93994e+00 | |||
| Coefficient C | -9.82920e-04 | |||
| Coefficient D | 1.37500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 509.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 620.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 719.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 808.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 887.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 956.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1016.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1067.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1110.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1145.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002257; 0.0000239] | Pa×s | [543.43; 827.81] |
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 | -1.49295e+01 | |||
| Coefficient B | 3.55027e+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. | 543.43 | |||
| Temperature range, max. | 827.81 | |||
| η | 0.0002257 | Pa×s | 543.43 | Calculated Property |
| η | 0.0001576 | Pa×s | 575.03 | Calculated Property |
| η | 0.0001143 | Pa×s | 606.63 | Calculated Property |
| η | 0.0000855 | Pa×s | 638.22 | Calculated Property |
| η | 0.0000658 | Pa×s | 669.82 | Calculated Property |
| η | 0.0000518 | Pa×s | 701.42 | Calculated Property |
| η | 0.0000417 | Pa×s | 733.02 | Calculated Property |
| η | 0.0000341 | Pa×s | 764.62 | Calculated Property |
| η | 0.0000284 | Pa×s | 796.21 | Calculated Property |
| η | 0.0000239 | Pa×s | 827.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 4-chloro-2-methoxyphenyl 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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