- InChI
- InChI=1S/C9H20O/c1-6-8(3)10-9(4,5)7-2/h8H,6-7H2,1-5H3
- InChI Key
- SKHAHQPUUJTKBB-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCC(C)OC(C)(C)CC
- Molecular Weight1
- 144.25
- Other Names
-
- tert-pentyl sec-butyl ether
- 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.
- 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 | 0.3965 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -398.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.990 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | [872.00; 872.00] |
|
|
| Inp | 872.00 | NIST | |
| Inp | 872.00 | NIST | |
| Tboil | 408.26 | K | Relay (1.0) Calculated Property |
| Tc | 583.01 | K | Relay (1.0) Calculated Property |
| Tfus | 180.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | 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 | [210.04; 504.15] | 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 | -5.94800e+00 | |||
| Coefficient B | 9.27400e-01 | |||
| Coefficient C | -5.29800e-04 | |||
| Coefficient D | 1.12500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 306.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 346.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 382.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 413.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 441.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 465.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 486.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 504.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0128253; 0.0002213] | Pa×s | [200.84; 421.23] |
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 | -1.21154e+01 | |||
| Coefficient B | 1.55833e+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. | 200.84 | |||
| Temperature range, max. | 421.23 | |||
| η | 0.0128253 | Pa×s | 200.84 | Calculated Property |
| η | 0.0055190 | Pa×s | 225.33 | Calculated Property |
| η | 0.0028018 | Pa×s | 249.82 | Calculated Property |
| η | 0.0016054 | Pa×s | 274.30 | Calculated Property |
| η | 0.0010078 | Pa×s | 298.79 | Calculated Property |
| η | 0.0006789 | Pa×s | 323.28 | Calculated Property |
| η | 0.0004835 | Pa×s | 347.77 | Calculated Property |
| η | 0.0003601 | Pa×s | 372.26 | Calculated Property |
| η | 0.0002781 | Pa×s | 396.74 | Calculated Property |
| η | 0.0002213 | Pa×s | 421.23 | Calculated Property |
Similar Compounds
Find more compounds similar to sec-Butyl tert-pentyl ether.
Sources
- Cheméo Relay (1.0)
- 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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