- InChI
- InChI=1S/C12H26O/c1-10(2)8-13-12(6,7)9-11(3,4)5/h10H,8-9H2,1-7H3
- InChI Key
- UOTXTTHXUHAQMD-UHFFFAOYSA-N
- Formula
- C12H26O
- SMILES
- CC(C)COC(C)(C)CC(C)(C)C
- Molecular Weight1
- 186.33
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -442.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.69 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.874 | Crippen Calculated Property | |
| McVol | 185.810 | ml/mol | McGowan Calculated Property |
| Inp | [1077.00; 1077.00] |
|
|
| Inp | 1077.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Tboil | 461.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [272.22; 660.39] | 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 | -3.31480e+01 | |||
| Coefficient B | 1.33824e+00 | |||
| Coefficient C | -8.64800e-04 | |||
| Coefficient D | 2.20100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 272.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 341.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 403.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 456.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 503.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 544.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 580.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 610.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 637.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 660.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0148322; 0.0001888] | Pa×s | [237.07; 471.39] |
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 | -1.29904e+01 | |||
| Coefficient B | 2.08135e+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. | 237.07 | |||
| Temperature range, max. | 471.39 | |||
| η | 0.0148322 | Pa×s | 237.07 | Calculated Property |
| η | 0.0062217 | Pa×s | 263.11 | Calculated Property |
| η | 0.0030518 | Pa×s | 289.14 | Calculated Property |
| η | 0.0016839 | Pa×s | 315.18 | Calculated Property |
| η | 0.0010174 | Pa×s | 341.21 | Calculated Property |
| η | 0.0006602 | Pa×s | 367.25 | Calculated Property |
| η | 0.0004537 | Pa×s | 393.28 | Calculated Property |
| η | 0.0003266 | Pa×s | 419.32 | Calculated Property |
| η | 0.0002443 | Pa×s | 445.35 | Calculated Property |
| η | 0.0001888 | Pa×s | 471.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl tert-octyl 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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