- InChI
- InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3
- InChI Key
- HNFSPSWQNZVCTB-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CC(C)OC(C)(C)C
- Molecular Weight1
- 116.20
- CAS
- 17348-59-3
- Other Names
-
- (i-C3H7)O(t-C4H9)
- 1,1-dimethyl-1-isopropoxyethane
- 1-methylethyl 1,1-dimethylethyl ether
- 2,4,4-trimethyl-3-oxapentane
- 2-Methyl-2-(1-methylethoxy)propane
- 2-isopropoxy-2-methylpropane
- Ether, tert-butyl isopropyl
- ISOPROPYL-TERT-BUTYL ETHER
- ethane, 1,1-dimethyl-1-isopropoxy-
- ether, 1-methylethyl, 1,1-dimethylethyl
- ether, isopropyl tert-butyl
- isopropyl tert-butyl ether
- tert-butyl isopropyl ether
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| PAff | 870.70 | kJ/mol | NIST |
| BasG | 841.50 | kJ/mol | NIST |
| ΔcH°liquid | -4648.30 ± 2.80 | kJ/mol | NIST |
| ΔfH°gas | -358.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -393.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 4.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [34.40; 36.20] | kJ/mol |
|
| ΔvapH° | 34.67 | kJ/mol | NIST |
| ΔvapH° | 36.20 | kJ/mol | NIST |
| ΔvapH° | 34.40 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 34.50 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 35.10 | kJ/mol | NIST |
| IE | 9.20 | eV | NIST |
| logPoct/wat | 2.210 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Inp | [631.00; 668.00] |
|
|
| Inp | 644.60 | NIST | |
| Inp | 643.50 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 644.60 | NIST | |
| Ip | [720.00; 724.00] |
|
|
| Ip | 720.00 | NIST | |
| Ip | 724.00 | NIST | |
| Ip | 724.00 | NIST | |
| Ip | 720.00 | NIST | |
| Tboil | [360.70; 360.80] | K |
|
| Tboil | 360.80 | K | NIST |
| Tboil | 360.70 | K | NIST |
| Tboil | 360.80 ± 0.50 | K | NIST |
| Tboil | 360.80 ± 0.40 | K | NIST |
| Tfus | [185.08; 185.15] | K |
|
| Tfus | 185.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 185.08 ± 0.20 | K | NIST |
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 8.46 | kJ/mol | 184.80 | NIST |
| ΔvapH | [30.50; 34.00] | kJ/mol | [333.50; 360.70] |
|
| ΔvapH | 34.00 | kJ/mol | 333.50 | NIST |
| ΔvapH | 30.50 | kJ/mol | 360.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.61; 400.97] | 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 | -4.13000e+00 | |||
| Coefficient B | 7.37400e-01 | |||
| Coefficient C | -4.21000e-04 | |||
| Coefficient D | 8.87000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 207.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 244.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 276.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 304.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 329.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 351.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 370.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 386.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 400.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0107506; 0.0002191] | Pa×s | [185.12; 390.59] |
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 | -1.19337e+01 | |||
| Coefficient B | 1.37001e+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. | 185.12 | |||
| Temperature range, max. | 390.59 | |||
| η | 0.0107506 | Pa×s | 185.12 | Calculated Property |
| η | 0.0047703 | Pa×s | 207.95 | Calculated Property |
| η | 0.0024859 | Pa×s | 230.78 | Calculated Property |
| η | 0.0014567 | Pa×s | 253.61 | Calculated Property |
| η | 0.0009324 | Pa×s | 276.44 | Calculated Property |
| η | 0.0006389 | Pa×s | 299.27 | Calculated Property |
| η | 0.0004618 | Pa×s | 322.10 | Calculated Property |
| η | 0.0003485 | Pa×s | 344.93 | Calculated Property |
| η | 0.0002724 | Pa×s | 367.76 | Calculated Property |
| η | 0.0002191 | Pa×s | 390.59 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [13.89; 103.54] | kPa | [306.15; 361.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 9.97222e+01 | |||
| Coefficient B | -7.49443e+03 | |||
| Coefficient C | -1.28665e+01 | |||
| Coefficient D | 1.10706e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 306.15 | |||
| Temperature range, max. | 361.15 | |||
| Pvap | 13.89 | kPa | 306.15 | Calculated Property |
| Pvap | 18.14 | kPa | 312.26 | Calculated Property |
| Pvap | 23.38 | kPa | 318.37 | Calculated Property |
| Pvap | 29.79 | kPa | 324.48 | Calculated Property |
| Pvap | 37.54 | kPa | 330.59 | Calculated Property |
| Pvap | 46.82 | kPa | 336.71 | Calculated Property |
| Pvap | 57.84 | kPa | 342.82 | Calculated Property |
| Pvap | 70.81 | kPa | 348.93 | Calculated Property |
| Pvap | 85.96 | kPa | 355.04 | Calculated Property |
| Pvap | 103.54 | kPa | 361.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-methyl-2-(1-methylethoxy)-.
Mixtures
- Propane, 2-methyl-2-(1-methylethoxy)- + Water
- Propane, 2-methyl-2-(1-methylethoxy)- + Methyl Alcohol + Water
- Propane, 2-methyl-2-(1-methylethoxy)- + Ethanol + Water
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Liquid liquid equilibria for binary systems of tert-amyl ethyl ether (TAEE), isopropyl tert-butyl ether (IPTBE) and di-sec-butyl ether (DSBE) with water and for ternary systems with methanol or ethanol
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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