- InChI
- InChI=1S/C7H16O/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3
- InChI Key
- FITVQUMLGWRKKG-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CCCOC(C)(C)C
- Molecular Weight1
- 116.20
- CAS
- 29072-93-3
- Other Names
-
- 2-methyl-2-propoxypropane
- Propane, 2-methyl-2-propoxy-
- propyl 1,1-dimethylethyl ether
- tert-butyl propyl ether
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- 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 | 0.3391 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.60; 38.30] | kJ/mol |
|
| ΔvapH° | 38.30 | kJ/mol | NIST |
| ΔvapH° | 37.20 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 36.60 ± 0.20 | kJ/mol | NIST |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.212 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Inp | [704.00; 710.00] |
|
|
| Inp | 704.40 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 704.40 | NIST | |
| Tboil | 370.60 ± 0.30 | K | NIST |
| Tc | 529.97 | K | Relay (1.0) Calculated Property |
| Tfus | 159.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 9.87 | kJ/mol | 179.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.92; 400.43] | 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 | -2.44800e+00 | |||
| Coefficient B | 7.31480e-01 | |||
| Coefficient C | -4.17800e-04 | |||
| Coefficient D | 8.92000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 207.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 243.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 275.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 304.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 328.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 350.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 369.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 386.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 400.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0073885; 0.0002327] | Pa×s | [193.30; 387.97] |
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 | -1.17997e+01 | |||
| Coefficient B | 1.33219e+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. | 193.30 | |||
| Temperature range, max. | 387.97 | |||
| η | 0.0073885 | Pa×s | 193.30 | Calculated Property |
| η | 0.0036927 | Pa×s | 214.93 | Calculated Property |
| η | 0.0020951 | Pa×s | 236.56 | Calculated Property |
| η | 0.0013071 | Pa×s | 258.19 | Calculated Property |
| η | 0.0008772 | Pa×s | 279.82 | Calculated Property |
| η | 0.0006234 | Pa×s | 301.45 | Calculated Property |
| η | 0.0004637 | Pa×s | 323.08 | Calculated Property |
| η | 0.0003580 | Pa×s | 344.71 | Calculated Property |
| η | 0.0002850 | Pa×s | 366.34 | Calculated Property |
| η | 0.0002327 | Pa×s | 387.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Propyl tert-butyl ether.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic Analysis of the Experimental Equilibria for the Liquid-Phase Etherification of Isobutene with C1 to C4 Linear Primary Alcohols
- Joback Method
- McGowan Method
- NIST Webbook
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