- InChI
- InChI=1S/C3H4Cl2O2/c4-1-3(6)7-2-5/h1-2H2
- InChI Key
- RGXOOYDUNWUMTN-UHFFFAOYSA-N
- Formula
- C3H4Cl2O2
- SMILES
- O=C(CCl)OCCl
- Molecular Weight1
- 142.97
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : 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 | -463.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.965 | Crippen Calculated Property | |
| McVol | 85.050 | ml/mol | McGowan Calculated Property |
| Inp | [869.00; 914.00] |
|
|
| Inp | 903.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 914.00 | NIST | |
| Ip | [1614.00; 1664.00] |
|
|
| Ip | 1619.00 | NIST | |
| Ip | 1664.00 | NIST | |
| Ip | 1619.00 | NIST | |
| Ip | 1614.00 | NIST | |
| Ip | 1637.00 | NIST | |
| Ip | 1664.00 | NIST | |
| Tboil | 444.92 | K | Relay (1.0) Calculated Property |
| Tfus | 260.57 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [112.27; 198.75] | 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 | 5.13520e+01 | |||
| Coefficient B | 2.47600e-01 | |||
| Coefficient C | -8.56000e-05 | |||
| Coefficient D | -1.46000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 112.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 127.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 141.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 154.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 165.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 175.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 183.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 190.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 195.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 198.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046983; 0.0003212] | Pa×s | [225.74; 415.73] |
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 | -1.12314e+01 | |||
| Coefficient B | 1.32528e+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. | 225.74 | |||
| Temperature range, max. | 415.73 | |||
| η | 0.0046983 | Pa×s | 225.74 | Calculated Property |
| η | 0.0028438 | Pa×s | 246.85 | Calculated Property |
| η | 0.0018630 | Pa×s | 267.96 | Calculated Property |
| η | 0.0012982 | Pa×s | 289.07 | Calculated Property |
| η | 0.0009503 | Pa×s | 310.18 | Calculated Property |
| η | 0.0007238 | Pa×s | 331.29 | Calculated Property |
| η | 0.0005695 | Pa×s | 352.40 | Calculated Property |
| η | 0.0004605 | Pa×s | 373.51 | Calculated Property |
| η | 0.0003809 | Pa×s | 394.62 | Calculated Property |
| η | 0.0003212 | Pa×s | 415.73 | Calculated Property |
Similar Compounds
Find more compounds similar to CHLOROMETHYL CHLORO-ACETATE.
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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