- InChI
- InChI=1S/C3H5ClO2/c1-6-2-3(4)5/h2H2,1H3
- InChI Key
- JJKWHOSQTYYFAE-UHFFFAOYSA-N
- Formula
- C3H5ClO2
- SMILES
- COCC(=O)Cl
- Molecular Weight1
- 108.52
- CAS
- 38870-89-2
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 |
|---|---|---|---|
| ΔfusH° | 10.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.398 | Crippen Calculated Property | |
| McVol | 72.810 | ml/mol | McGowan Calculated Property |
| Tboil | [372.00; 386.00] | K |
|
| Tboil | 385.70 | K | NIST |
| Tboil | 386.00 ± 3.00 | K | NIST |
| Tboil | 386.00 ± 4.00 | K | NIST |
| Tboil | 372.00 ± 8.00 | K | NIST |
| Tboil | 372.00 ± 10.00 | K | NIST |
| Tfus | 228.57 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 | [98.86; 189.89] | 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 | 4.59110e+01 | |||
| Coefficient B | 2.04420e-01 | |||
| Coefficient C | -3.01000e-05 | |||
| Coefficient D | -3.03400e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 98.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 113.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 126.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 139.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 150.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 161.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 170.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 178.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 184.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 189.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025693; 0.0002892] | Pa×s | [225.65; 399.54] |
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 | -1.09830e+01 | |||
| Coefficient B | 1.13252e+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. | 225.65 | |||
| Temperature range, max. | 399.54 | |||
| η | 0.0025693 | Pa×s | 225.65 | Calculated Property |
| η | 0.0017294 | Pa×s | 244.97 | Calculated Property |
| η | 0.0012335 | Pa×s | 264.29 | Calculated Property |
| η | 0.0009212 | Pa×s | 283.61 | Calculated Property |
| η | 0.0007141 | Pa×s | 302.94 | Calculated Property |
| η | 0.0005707 | Pa×s | 322.26 | Calculated Property |
| η | 0.0004678 | Pa×s | 341.58 | Calculated Property |
| η | 0.0003917 | Pa×s | 360.90 | Calculated Property |
| η | 0.0003340 | Pa×s | 380.22 | Calculated Property |
| η | 0.0002892 | Pa×s | 399.54 | Calculated Property |
Similar Compounds
Find more compounds similar to methoxyacetyl chloride.
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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