- InChI
- InChI=1S/C18H25ClO4/c1-14-7-8-16(13-15(14)2)23-18(21)10-9-17(20)22-12-6-4-3-5-11-19/h7-8,13H,3-6,9-12H2,1-2H3
- InChI Key
- KXQXSHCDMNRACU-UHFFFAOYSA-N
- Formula
- C18H25ClO4
- SMILES
-
Cc1ccc(OC(=O)CCC(=O)OCCCCCCCl)
cc1C - Molecular Weight1
- 340.84
- 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.
- 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 | -838.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.23 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.331 | Crippen Calculated Property | |
| McVol | 267.840 | ml/mol | McGowan Calculated Property |
| Inp | [2677.00; 2677.00] |
|
|
| Inp | 2677.00 | NIST | |
| Inp | 2677.00 | NIST | |
| Tfus | 305.46 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, 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 | [381.25; 847.85] | 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 | 4.49280e+01 | |||
| Coefficient B | 1.41314e+00 | |||
| Coefficient C | -6.83720e-04 | |||
| Coefficient D | 7.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 381.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 462.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 535.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 601.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 659.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 711.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 755.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 792.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 823.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 847.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007302; 0.0000826] | Pa×s | [458.66; 701.54] |
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 | -1.35166e+01 | |||
| Coefficient B | 2.88698e+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. | 458.66 | |||
| Temperature range, max. | 701.54 | |||
| η | 0.0007302 | Pa×s | 458.66 | Calculated Property |
| η | 0.0005147 | Pa×s | 485.65 | Calculated Property |
| η | 0.0003764 | Pa×s | 512.63 | Calculated Property |
| η | 0.0002840 | Pa×s | 539.62 | Calculated Property |
| η | 0.0002201 | Pa×s | 566.61 | Calculated Property |
| η | 0.0001746 | Pa×s | 593.59 | Calculated Property |
| η | 0.0001413 | Pa×s | 620.58 | Calculated Property |
| η | 0.0001164 | Pa×s | 647.57 | Calculated Property |
| η | 0.0000974 | Pa×s | 674.55 | Calculated Property |
| η | 0.0000826 | Pa×s | 701.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3,4-dimethylphenyl 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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