![Isopropyl [2-chloro-1-(chloromethyl)ethyl] ether](/cid/96-811-5/Isopropyl-2-chloro-1-chloromethyl-ethyl-ether.png "Isopropyl [2-chloro-1-(chloromethyl)ethyl] ether")
- InChI
- InChI=1S/C6H12Cl2O/c1-5(2)9-6(3,8)4-7/h5H,4H2,1-3H3
- InChI Key
- VKTMECFEGQKZCB-UHFFFAOYSA-N
- Formula
- C6H12Cl2O
- SMILES
- CC(C)OC(C)(Cl)CCl
- Molecular Weight1
- 171.06
- 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.
- 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 |
|---|---|---|---|
| ΔfH°gas | -401.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.605 | Crippen Calculated Property | |
| McVol | 125.750 | ml/mol | McGowan Calculated Property |
| Inp | [953.00; 953.00] |
|
|
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Tboil | 421.68 | K | Relay (1.0) Calculated Property |
| Tfus | 200.07 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.94; 296.90] | J/mol×K | [430.29; 626.41] |
|
| Cp,gas | 236.94 | J/mol×K | 430.29 | Joback Calculated Property |
| Cp,gas | 248.34 | J/mol×K | 462.98 | Joback Calculated Property |
| Cp,gas | 259.15 | J/mol×K | 495.66 | Joback Calculated Property |
| Cp,gas | 269.39 | J/mol×K | 528.35 | Joback Calculated Property |
| Cp,gas | 279.08 | J/mol×K | 561.03 | Joback Calculated Property |
| Cp,gas | 288.25 | J/mol×K | 593.72 | Joback Calculated Property |
| Cp,gas | 296.90 | J/mol×K | 626.41 | Joback Calculated Property |
| η | [0.0002817; 0.0082137] | Pa×s | [226.87; 430.29] |
|
| η | 0.0082137 | Pa×s | 226.87 | Joback Calculated Property |
| η | 0.0032489 | Pa×s | 260.77 | Joback Calculated Property |
| η | 0.0015908 | Pa×s | 294.68 | Joback Calculated Property |
| η | 0.0009026 | Pa×s | 328.58 | Joback Calculated Property |
| η | 0.0005694 | Pa×s | 362.48 | Joback Calculated Property |
| η | 0.0003886 | Pa×s | 396.39 | Joback Calculated Property |
| η | 0.0002817 | Pa×s | 430.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl [2-chloro-1-(chloromethyl)ethyl] ether.
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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