- InChI
- InChI=1S/C10H11ClO2/c1-2-8-4-3-5-9(6-8)13-10(12)7-11/h3-6H,2,7H2,1H3
- InChI Key
- YRHSYUNQLUKWJD-UHFFFAOYSA-N
- Formula
- C10H11ClO2
- SMILES
- CCc1cccc(OC(=O)CCl)c1
- Molecular Weight1
- 198.65
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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 | 0.5727 | Relay (1.0) Calculated Property | |
| ΔfG° | -186.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.393 | Crippen Calculated Property | |
| McVol | 147.680 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | [1502.00; 1502.00] |
|
|
| Inp | 1502.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Tboil | 530.23 | K | Relay (1.0) Calculated Property |
| Tc | 758.39 | K | Relay (1.0) Calculated Property |
| Tfus | 265.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.527 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.66; 430.05] | 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 | 1.24920e+01 | |||
| Coefficient B | 7.67420e-01 | |||
| Coefficient C | -4.10160e-04 | |||
| Coefficient D | 6.03000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 235.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 273.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 307.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 336.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 362.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 384.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 403.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 418.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 430.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023164; 0.0002103] | Pa×s | [313.65; 540.02] |
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 | -1.17915e+01 | |||
| Coefficient B | 1.79524e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 313.65 | |||
| Temperature range, max. | 540.02 | |||
| η | 0.0023164 | Pa×s | 313.65 | Calculated Property |
| η | 0.0015145 | Pa×s | 338.80 | Calculated Property |
| η | 0.0010501 | Pa×s | 363.96 | Calculated Property |
| η | 0.0007634 | Pa×s | 389.11 | Calculated Property |
| η | 0.0005769 | Pa×s | 414.26 | Calculated Property |
| η | 0.0004502 | Pa×s | 439.41 | Calculated Property |
| η | 0.0003608 | Pa×s | 464.57 | Calculated Property |
| η | 0.0002959 | Pa×s | 489.72 | Calculated Property |
| η | 0.0002474 | Pa×s | 514.87 | Calculated Property |
| η | 0.0002103 | Pa×s | 540.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 3-ethylphenyl ester.
Sources
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