- InChI
- InChI=1S/C17H23ClO4/c1-14-8-4-5-9-15(14)22-17(20)11-10-16(19)21-13-7-3-2-6-12-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3
- InChI Key
- SOAVOQPCGGGCSE-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
Cc1ccccc1OC(=O)CCC(=O)OCCCCCCC
l - Molecular Weight1
- 326.82
- 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 | -799.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.023 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Inp | [2510.00; 2510.00] |
|
|
| Inp | 2510.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Tboil | 622.38 | K | Relay (1.0) Calculated Property |
| Tfus | 295.65 | 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 | [357.49; 799.30] | 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 | 3.15380e+01 | |||
| Coefficient B | 1.37762e+00 | |||
| Coefficient C | -6.96360e-04 | |||
| Coefficient D | 8.65000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 357.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 435.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 505.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 568.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 623.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 671.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 713.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 748.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 776.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 799.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009943; 0.0000930] | Pa×s | [434.87; 681.95] |
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 | -1.34536e+01 | |||
| Coefficient B | 2.84408e+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. | 434.87 | |||
| Temperature range, max. | 681.95 | |||
| η | 0.0009943 | Pa×s | 434.87 | Calculated Property |
| η | 0.0006743 | Pa×s | 462.32 | Calculated Property |
| η | 0.0004776 | Pa×s | 489.78 | Calculated Property |
| η | 0.0003509 | Pa×s | 517.23 | Calculated Property |
| η | 0.0002660 | Pa×s | 544.68 | Calculated Property |
| η | 0.0002070 | Pa×s | 572.14 | Calculated Property |
| η | 0.0001649 | Pa×s | 599.59 | Calculated Property |
| η | 0.0001340 | Pa×s | 627.05 | Calculated Property |
| η | 0.0001108 | Pa×s | 654.50 | Calculated Property |
| η | 0.0000930 | Pa×s | 681.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylphenyl 6-chlorohexyl 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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