- InChI
- InChI=1S/C11H13ClO2/c1-2-5-9-6-3-4-7-10(9)14-11(13)8-12/h3-4,6-7H,2,5,8H2,1H3
- InChI Key
- ANQHZAYNNOSUGR-UHFFFAOYSA-N
- Formula
- C11H13ClO2
- SMILES
- CCCc1ccccc1OC(=O)CCl
- Molecular Weight1
- 212.68
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6071 | Relay (1.0) Calculated Property | |
| ΔfusH° | 26.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.18 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.783 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | [1527.00; 1527.00] |
|
|
| Inp | 1527.00 | NIST | |
| Inp | 1527.00 | NIST | |
| Tboil | 543.19 | K | Relay (1.0) Calculated Property |
| Tc | 768.35 | K | Relay (1.0) Calculated Property |
| Tfus | 286.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [213.87; 481.64] | 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 | 1.15830e+01 | |||
| Coefficient B | 8.62420e-01 | |||
| Coefficient C | -4.64560e-04 | |||
| Coefficient D | 7.22000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 213.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 304.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 375.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 404.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 429.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 450.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 467.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 481.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022266; 0.0002017] | Pa×s | [324.92; 553.51] |
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 | -1.19222e+01 | |||
| Coefficient B | 1.88940e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 324.92 | |||
| Temperature range, max. | 553.51 | |||
| η | 0.0022266 | Pa×s | 324.92 | Calculated Property |
| η | 0.0014607 | Pa×s | 350.32 | Calculated Property |
| η | 0.0010144 | Pa×s | 375.72 | Calculated Property |
| η | 0.0007378 | Pa×s | 401.12 | Calculated Property |
| η | 0.0005573 | Pa×s | 426.52 | Calculated Property |
| η | 0.0004345 | Pa×s | 451.91 | Calculated Property |
| η | 0.0003478 | Pa×s | 477.31 | Calculated Property |
| η | 0.0002848 | Pa×s | 502.71 | Calculated Property |
| η | 0.0002377 | Pa×s | 528.11 | Calculated Property |
| η | 0.0002017 | Pa×s | 553.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 2-propylphenyl ester.
Sources
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