- InChI
- InChI=1S/C8H18O/c1-6-8(4,5)9-7(2)3/h7H,6H2,1-5H3
- InChI Key
- WICKZWVCTKHMNG-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCC(C)(C)OC(C)C
- Molecular Weight1
- 130.23
- Other Names
-
- 2-methyl-2-(1-methylethoxy)butane
- butane, 2-methyl-2-(1-methylethoxy)-
- ether, isopropyl tert-pentyl
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -377.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.600 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Inp | [772.00; 772.00] |
|
|
| Inp | 772.00 | NIST | |
| Inp | 772.00 | NIST | |
| Tboil | 381.08 | K | Relay (1.0) Calculated Property |
| Tfus | 180.57 | 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 | [188.82; 452.56] | 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 | -5.03900e+00 | |||
| Coefficient B | 8.32400e-01 | |||
| Coefficient C | -4.75400e-04 | |||
| Coefficient D | 1.00600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 311.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 343.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 371.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 396.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 417.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 436.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 452.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0136359; 0.0002221] | Pa×s | [189.57; 406.00] |
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 | -1.20187e+01 | |||
| Coefficient B | 1.46417e+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. | 189.57 | |||
| Temperature range, max. | 406.00 | |||
| η | 0.0136359 | Pa×s | 189.57 | Calculated Property |
| η | 0.0057158 | Pa×s | 213.62 | Calculated Property |
| η | 0.0028568 | Pa×s | 237.66 | Calculated Property |
| η | 0.0016220 | Pa×s | 261.71 | Calculated Property |
| η | 0.0010129 | Pa×s | 285.76 | Calculated Property |
| η | 0.0006805 | Pa×s | 309.81 | Calculated Property |
| η | 0.0004842 | Pa×s | 333.85 | Calculated Property |
| η | 0.0003606 | Pa×s | 357.90 | Calculated Property |
| η | 0.0002787 | Pa×s | 381.95 | Calculated Property |
| η | 0.0002221 | Pa×s | 406.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl tert-pentyl 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
- Thermochemistry of Branched Ethers: Experimental Study of Chemical Equilibrium in the Reacting System of tert-Amyl Alkyl Ether Synthesis
- Joback Method
- McGowan Method
- NIST Webbook
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