- InChI
- InChI=1S/C10H11ClO2/c1-7-4-3-5-9(8(7)2)13-10(12)6-11/h3-5H,6H2,1-2H3
- InChI Key
- QGXOVVMPIWLEDT-UHFFFAOYSA-N
- Formula
- C10H11ClO2
- SMILES
- Cc1cccc(OC(=O)CCl)c1C
- Molecular Weight1
- 198.65
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -382.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.49 | kJ/mol | Joback Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.448 | Crippen Calculated Property | |
| McVol | 147.680 | ml/mol | McGowan Calculated Property |
| Inp | [1513.00; 1513.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Tboil | 537.81 | K | Relay (1.0) Calculated Property |
| Tfus | 316.57 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [195.21; 427.01] | 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 | 2.67910e+01 | |||
| Coefficient B | 7.07940e-01 | |||
| Coefficient C | -3.43120e-04 | |||
| Coefficient D | 3.54000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 195.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 235.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 272.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 305.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 334.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 359.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 381.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 400.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 415.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 427.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017457; 0.0002049] | Pa×s | [326.17; 544.25] |
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 | -1.16975e+01 | |||
| Coefficient B | 1.74398e+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. | 326.17 | |||
| Temperature range, max. | 544.25 | |||
| η | 0.0017457 | Pa×s | 326.17 | Calculated Property |
| η | 0.0012061 | Pa×s | 350.40 | Calculated Property |
| η | 0.0008741 | Pa×s | 374.63 | Calculated Property |
| η | 0.0006588 | Pa×s | 398.86 | Calculated Property |
| η | 0.0005129 | Pa×s | 423.10 | Calculated Property |
| η | 0.0004102 | Pa×s | 447.33 | Calculated Property |
| η | 0.0003358 | Pa×s | 471.56 | Calculated Property |
| η | 0.0002802 | Pa×s | 495.79 | Calculated Property |
| η | 0.0002379 | Pa×s | 520.02 | Calculated Property |
| η | 0.0002049 | Pa×s | 544.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 2,3-dimethylphenyl 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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