- InChI
- InChI=1S/C20H29ClO5/c1-24-18-10-8-17(9-11-18)16-26-20(23)13-12-19(22)25-15-7-5-3-2-4-6-14-21/h8-11H,2-7,12-16H2,1H3
- InChI Key
- VFRPABTUMGHZMC-UHFFFAOYSA-N
- Formula
- C20H29ClO5
- SMILES
-
COc1ccc(COC(=O)CCC(=O)OCCCCCCC
CCl)cc1 - Molecular Weight1
- 384.89
- 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).
- 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 | -960.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.641 | Crippen Calculated Property | |
| McVol | 301.890 | ml/mol | McGowan Calculated Property |
| Inp | [3008.00; 3008.00] |
|
|
| Inp | 3008.00 | NIST | |
| Inp | 3008.00 | NIST | |
| Tboil | 660.67 | K | Relay (1.0) Calculated Property |
| Tfus | 300.70 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [436.53; 972.57] | 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 | 5.43110e+01 | |||
| Coefficient B | 1.59942e+00 | |||
| Coefficient C | -7.48560e-04 | |||
| Coefficient D | 6.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 436.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 529.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 613.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 688.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 756.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 814.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 865.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 908.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 944.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 972.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004735; 0.0000491] | Pa×s | [490.91; 746.65] |
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 | -1.42730e+01 | |||
| Coefficient B | 3.24865e+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. | 490.91 | |||
| Temperature range, max. | 746.65 | |||
| η | 0.0004735 | Pa×s | 490.91 | Calculated Property |
| η | 0.0003296 | Pa×s | 519.33 | Calculated Property |
| η | 0.0002383 | Pa×s | 547.74 | Calculated Property |
| η | 0.0001779 | Pa×s | 576.16 | Calculated Property |
| η | 0.0001364 | Pa×s | 604.57 | Calculated Property |
| η | 0.0001072 | Pa×s | 632.99 | Calculated Property |
| η | 0.0000860 | Pa×s | 661.41 | Calculated Property |
| η | 0.0000702 | Pa×s | 689.82 | Calculated Property |
| η | 0.0000583 | Pa×s | 718.24 | Calculated Property |
| η | 0.0000491 | Pa×s | 746.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 8-chlorooctyl 4-methoxybenzyl 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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