- InChI
- InChI=1S/C5H11ClO/c1-5(2,3)7-4-6/h4H2,1-3H3
- InChI Key
- CIACLSGBPZWWNK-UHFFFAOYSA-N
- Formula
- C5H11ClO
- SMILES
- CC(C)(C)OCCl
- Molecular Weight1
- 122.59
- 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 | -337.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.998 | Crippen Calculated Property | |
| McVol | 99.420 | ml/mol | McGowan Calculated Property |
| Inp | [772.00; 772.00] |
|
|
| Inp | 772.00 | NIST | |
| Inp | 772.00 | NIST | |
| Tboil | 379.37 | K | Relay (1.0) Calculated Property |
| Tfus | 204.98 | 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 | [173.93; 227.93] | J/mol×K | [370.42; 555.51] |
|
| Cp,gas | 173.93 | J/mol×K | 370.42 | Joback Calculated Property |
| Cp,gas | 184.03 | J/mol×K | 401.27 | Joback Calculated Property |
| Cp,gas | 193.67 | J/mol×K | 432.12 | Joback Calculated Property |
| Cp,gas | 202.87 | J/mol×K | 462.97 | Joback Calculated Property |
| Cp,gas | 211.63 | J/mol×K | 493.82 | Joback Calculated Property |
| Cp,gas | 219.98 | J/mol×K | 524.67 | Joback Calculated Property |
| Cp,gas | 227.93 | J/mol×K | 555.51 | Joback Calculated Property |
| η | [0.0003061; 0.0061676] | Pa×s | [200.68; 370.42] |
|
| η | 0.0061676 | Pa×s | 200.68 | Joback Calculated Property |
| η | 0.0027445 | Pa×s | 228.97 | Joback Calculated Property |
| η | 0.0014593 | Pa×s | 257.26 | Joback Calculated Property |
| η | 0.0008794 | Pa×s | 285.55 | Joback Calculated Property |
| η | 0.0005806 | Pa×s | 313.84 | Joback Calculated Property |
| η | 0.0004106 | Pa×s | 342.13 | Joback Calculated Property |
| η | 0.0003061 | Pa×s | 370.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl tert-butyl 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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