- InChI
- InChI=1S/C3H6Cl2O/c1-6-2-3(4)5/h3H,2H2,1H3
- InChI Key
- QUCLHUUEEKVBGT-UHFFFAOYSA-N
- Formula
- C3H6Cl2O
- SMILES
- COCC(Cl)Cl
- Molecular Weight1
- 128.99
- Other Names
-
- Ethane, 1,1-dichloro-2-methoxy-
- 1,1-dichloro-2-methoxyethane
- ω : Acentric Factor.
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.3028 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -256.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.55 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.436 | Crippen Calculated Property | |
| McVol | 83.480 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Inp | 784.90 | NIST | |
| Ip | [1158.00; 1158.00] |
|
|
| Ip | 1158.00 | NIST | |
| Ip | 1158.00 | NIST | |
| Tboil | 392.95 | K | Relay (1.0) Calculated Property |
| Tc | 583.90 | K | Relay (1.0) Calculated Property |
| Tfus | 196.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.292 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [111.02; 209.68] | 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 | 4.97610e+01 | |||
| Coefficient B | 2.45120e-01 | |||
| Coefficient C | -7.24000e-05 | |||
| Coefficient D | -1.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 126.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 141.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 155.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 167.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 178.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 188.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 196.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 203.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 209.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047910; 0.0002597] | Pa×s | [190.64; 386.89] |
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 | -1.10873e+01 | |||
| Coefficient B | 1.09547e+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. | 190.64 | |||
| Temperature range, max. | 386.89 | |||
| η | 0.0047910 | Pa×s | 190.64 | Calculated Property |
| η | 0.0026563 | Pa×s | 212.45 | Calculated Property |
| η | 0.0016437 | Pa×s | 234.25 | Calculated Property |
| η | 0.0011037 | Pa×s | 256.06 | Calculated Property |
| η | 0.0007890 | Pa×s | 277.86 | Calculated Property |
| η | 0.0005922 | Pa×s | 299.67 | Calculated Property |
| η | 0.0004621 | Pa×s | 321.47 | Calculated Property |
| η | 0.0003722 | Pa×s | 343.28 | Calculated Property |
| η | 0.0003076 | Pa×s | 365.08 | Calculated Property |
| η | 0.0002597 | Pa×s | 386.89 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dichloroethyl methyl ether.
Sources
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