- InChI
- InChI=1S/C12H19ClO4/c1-2-16-11(14)9-5-3-4-6-10(9)12(15)17-8-7-13/h9-10H,2-8H2,1H3
- InChI Key
- RARRJWGBOLTBKO-UHFFFAOYSA-N
- Formula
- C12H19ClO4
- SMILES
- CCOC(=O)C1CCCCC1C(=O)OCCCl
- Molecular Weight1
- 262.73
- 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.
- 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 | -872.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.138 | Crippen Calculated Property | |
| McVol | 196.200 | ml/mol | McGowan Calculated Property |
| Inp | [1770.00; 1770.00] |
|
|
| Inp | 1770.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Tboil | 567.73 | K | Relay (1.0) Calculated Property |
| Tfus | 289.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [270.27; 654.64] | 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 | -3.97700e+00 | |||
| Coefficient B | 1.13662e+00 | |||
| Coefficient C | -4.85800e-04 | |||
| Coefficient D | 7.80000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 270.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 337.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 398.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 453.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 502.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 545.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 581.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 612.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 636.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 654.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031320; 0.0001919] | Pa×s | [342.72; 593.00] |
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 | -1.23829e+01 | |||
| Coefficient B | 2.26770e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 342.72 | |||
| Temperature range, max. | 593.00 | |||
| η | 0.0031320 | Pa×s | 342.72 | Calculated Property |
| η | 0.0019061 | Pa×s | 370.53 | Calculated Property |
| η | 0.0012433 | Pa×s | 398.34 | Calculated Property |
| η | 0.0008575 | Pa×s | 426.15 | Calculated Property |
| η | 0.0006190 | Pa×s | 453.95 | Calculated Property |
| η | 0.0004639 | Pa×s | 481.76 | Calculated Property |
| η | 0.0003588 | Pa×s | 509.57 | Calculated Property |
| η | 0.0002850 | Pa×s | 537.38 | Calculated Property |
| η | 0.0002316 | Pa×s | 565.19 | Calculated Property |
| η | 0.0001919 | Pa×s | 593.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl ethyl 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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