- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -94.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.78 | kJ/mol | Joback 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 |
| log10WS | -1.95 | Crippen 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 | 553.95 | K | Joback Calculated Property |
| Tfus | 193.30 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.51; 289.71] | J/mol×K | [378.75; 553.95] |
|
| Cp,gas | 219.51 | J/mol×K | 378.75 | Joback Calculated Property |
| Cp,gas | 232.48 | J/mol×K | 407.95 | Joback Calculated Property |
| Cp,gas | 244.93 | J/mol×K | 437.15 | Joback Calculated Property |
| Cp,gas | 256.86 | J/mol×K | 466.35 | Joback Calculated Property |
| Cp,gas | 268.29 | J/mol×K | 495.55 | Joback Calculated Property |
| Cp,gas | 279.24 | J/mol×K | 524.75 | Joback Calculated Property |
| Cp,gas | 289.71 | J/mol×K | 553.95 | Joback Calculated Property |
| η | [0.0002529; 0.0073885] | Pa×s | [193.30; 378.75] |
|
| η | 0.0073885 | Pa×s | 193.30 | Joback Calculated Property |
| η | 0.0028572 | Pa×s | 224.21 | Joback Calculated Property |
| η | 0.0013910 | Pa×s | 255.12 | Joback Calculated Property |
| η | 0.0007911 | Pa×s | 286.02 | Joback Calculated Property |
| η | 0.0005023 | Pa×s | 316.93 | Joback Calculated Property |
| η | 0.0003458 | Pa×s | 347.84 | Joback Calculated Property |
| η | 0.0002529 | Pa×s | 378.75 | Joback Calculated Property |
| ΔfusH | 9.87 | kJ/mol | 179.60 | NIST |
Similar Compounds
Find more compounds similar to Propyl tert-butyl ether.
Sources
- 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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