Propyl tert-butyl ether
- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChI: InChI=1S/C7H16O/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3
- IUPAC Standard InChIKey: FITVQUMLGWRKKG-UHFFFAOYSA-N
- CAS Registry Number: 29072-93-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Propane, 2-methyl-2-propoxy-
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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 370.6 | K | N/A | Norris and Rigby, 1932 | Uncertainty assigned by TRC = 0.3 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 9.15 | kcal/mol | CGC | Verevkin, Krasnykh, et al., 2003 | See also Verevkin, 2002 and Verevkin, Krasnykh, et al., 2003.; AC |
| ΔvapH° | 8.9 ± 0.1 | kcal/mol | EB | Varushchenko, Pashchenko, et al., 2002 | Based on data from 315. to 370. K.; AC |
| ΔvapH° | 8.75 ± 0.05 | kcal/mol | C | Varushchenko, Pashchenko, et al., 2002 | See also Dorofeeva, Yungman, et al., 2004.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 2.36 | 179.6 | Varushchenko, Druzhinina, et al., 2001 | See also Dorofeeva, Yungman, et al., 2004.; AC |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Methyl Silicone | 100. | 704.4 | Boneva and Toromanova-Petrova, 1994 | Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | Methyl Silicone | 90. | 704.0 | Boneva and Toromanova-Petrova, 1994 | Column length: 50. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-5 | 60. | 710. | Verevkin, Krasnykh, et al., 2003 | 60. m/0.32 mm/0.25 μm, Nitrogen |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Norris and Rigby, 1932
Norris, J.F.; Rigby, G.W.,
Reactivity of Atoms and Groups in Organic Compounds XII. The Preparation and Properties of Mixed Aliphatic Ethers with Special Reference to those Containing the Tert-Butyl Radical,
J. Am. Chem. Soc., 1932, 54, 2088. [all data]
Verevkin, Krasnykh, et al., 2003
Verevkin, Sergey P.; Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Heintz, Andreas,
Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers,
J. Chem. Eng. Data, 2003, 48, 3, 591-599, https://doi.org/10.1021/je0255980
. [all data]
Verevkin, 2002
Verevkin, Sergey P.,
Improved Benson Increments for the Estimation of Standard Enthalpies of Formation and Enthalpies of Vaporization of Alkyl Ethers, Acetals, Ketals, and Ortho Esters,
J. Chem. Eng. Data, 2002, 47, 5, 1071-1097, https://doi.org/10.1021/je020023o
. [all data]
Varushchenko, Pashchenko, et al., 2002
Varushchenko, R.M.; Pashchenko, L.L.; Druzhinina, A.I.; Churkina, A.Yu.; Vorob'ev, I.I.; Kravchun, S.N.,
Zh. Fiz. Khim., 2002, 76, 4, 632. [all data]
Dorofeeva, Yungman, et al., 2004
Dorofeeva, O.V.; Yungman, V.S.; Varushchenko, R.M.; Druzhinina, A.I.,
Ideal Gas Thermodynamic Properties of Propyl tert-Butyl Ethers from Density Functional Theory Results Combined with Experimental Data,
International Journal of Thermophysics, 2004, 25, 4, 1097-1113, https://doi.org/10.1023/B:IJOT.0000038503.77644.a4
. [all data]
Varushchenko, Druzhinina, et al., 2001
Varushchenko, R.M.; Druzhinina, A.I.; Churkina, A.Yu.; Zhi, C.-T.,
Zh. Fiz. Khim., 2001, 75, 8, 1351. [all data]
Boneva and Toromanova-Petrova, 1994
Boneva, S.; Toromanova-Petrova, P.,
Capillary gas chromatography of C1-C4 alkyl tert-butyl ethers,
Chromatographia, 1994, 39, 3/4, 224-227, https://doi.org/10.1007/BF02274504
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔfusH Enthalpy of fusion ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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