Propane, 2-methoxy-2-methyl-
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChIKey: BZLVMXJERCGZMT-UHFFFAOYSA-N
- CAS Registry Number: 1634-04-4
- 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: Ether, tert-butyl methyl; tert-Butyl methyl ether; Methyl tert-butyl ether; 2-Methoxy-2-methylpropane; 2-Methyl-2-methoxypropane; tert-C4H9OCH3; Methyl t-butyl ether; MTBE; Methyl 1,1-dimethylethyl ether; UN 2398; Driveron; 1,1-Dimethylethyl methyl ether; t-Butyl methyl ether; methyl tert-butyl ether (MTBE)
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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes
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
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 328.2 ± 0.2 | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 164.50 | K | N/A | Olson, Hipsher, et al., 1947 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 164.56 | K | N/A | Andon and Martin, 1975 | Uncertainty assigned by TRC = 0.07 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 496.40 | K | N/A | Daubert, Jalowka, et al., 1987 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tc | 497.1 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 497.1 | K | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.970 | bar | N/A | Daubert, Jalowka, et al., 1987 | Uncertainty assigned by TRC = 0.08 bar; TRC |
Pc | 34.30 | bar | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.10 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 30.0 ± 0.5 | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.94 | 328.3 | N/A | Majer and Svoboda, 1985 | |
29.9 | 314. | N/A | Segura, Galindo, et al., 2002 | Based on data from 300. to 328. K.; AC |
29.6 | 330. | N/A | Aucejo, Loras, et al., 1998 | Based on data from 315. to 365. K.; AC |
30.0 | 310. | N/A | Belaribi, Ait-Kaci, et al., 1995 | Based on data from 298. to 322. K.; AC |
31.2 | 315. | EB | Kraehenbuehl and Gmehling, 1994 | Based on data from 300. to 411. K.; AC |
30.4 | 302. | N/A | Wu, Pividal, et al., 1991 | Based on data from 287. to 326. K.; AC |
30.2 | 302. | A | Stephenson and Malanowski, 1987 | Based on data from 287. to 351. K. See also Ambrose, Ellender, et al., 1976.; AC |
27.9 | 328. | N/A | Ambrose, Ellender, et al., 1976 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 343. | 46.23 | 0.2893 | 497.1 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.600 | 164.56 | Andon and Martin, 1975, 2 | DH |
7.6 | 164.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
46.18 | 164.56 | Andon and Martin, 1975, 2 | DH |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, References, Notes
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
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-1333 |
NIST MS number | 229277 |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Olson, Hipsher, et al., 1947
Olson, W.T.; Hipsher, H.F.; Buess, C.M.; Goodman, I.A.; Hart, I.; Lamneck, J.H.; Gibbons, L.C.,
The Synthesis and Purification of Ethers,
J. Am. Chem. Soc., 1947, 69, 2451-4. [all data]
Andon and Martin, 1975
Andon, R.J.L.; Martin, J.F.,
Thermodynamic Properties of Organic Oxygen Compounds 40. Heat Capacity and Entropy of Six Ethers,
J. Chem. Thermodyn., 1975, 7, 593. [all data]
Daubert, Jalowka, et al., 1987
Daubert, T.E.; Jalowka, J.W.; Goren, V.,
Vapor pressure of 22 pure industrial chemicals,
AIChE Symp. Ser., 1987, 83, 256, 128-156. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Ambrose, Broderick, et al., 1974
Ambrose, D.; Broderick, B.E.; Townsend, R.,
The Critical Temperatures and Pressures of Thirty Organic Compounds,
J. Appl. Chem. Biotechnol., 1974, 24, 359. [all data]
Segura, Galindo, et al., 2002
Segura, Hugo; Galindo, Graciela; Reich, Ricardo; Wisniak, Jaime; Loras, Sonia,
Isobaric Vapor-Liquid Equilibria and Densities for the System Methyl 1,1-Dimethylethyl Ether +2-Propanol,
Physics and Chemistry of Liquids, 2002, 40, 3, 277-294, https://doi.org/10.1080/0031910021000004865
. [all data]
Aucejo, Loras, et al., 1998
Aucejo, Antonio; Loras, Sonia; Muñoz, Rosa; Reich, Ricardo; Segura, Hugo,
Isobaric Vapor-Liquid Equilibrium in the Systems 2-Methylpentane + Methyl 1,1-Dimethylethyl Ether, + Ethyl 1,1-Dimethylethyl Ether, and + Methyl 1,1-Dimethylpropyl Ether,
J. Chem. Eng. Data, 1998, 43, 6, 973-977, https://doi.org/10.1021/je980090b
. [all data]
Belaribi, Ait-Kaci, et al., 1995
Belaribi, F.B.; Ait-Kaci, A.; Jose, J.,
Equilibres liquide-vapeur isothermes de melanges binaires de la piperidine et de la N-methyl piperidine avec certains ethers,
Journal of Thermal Analysis, 1995, 44, 5, 1177-1194, https://doi.org/10.1007/BF02547548
. [all data]
Kraehenbuehl and Gmehling, 1994
Kraehenbuehl, M.A.; Gmehling, J.,
Vapor Pressures of Methyl tert-Butyl Ether, Ethyl tert-Butyl Ether, Isopropyl tert-Butyl Ether, tert-Amyl Methyl Ether, and tert-Amyl Ethyl Ether,
J. Chem. Eng. Data, 1994, 39, 4, 759-762, https://doi.org/10.1021/je00016a026
. [all data]
Wu, Pividal, et al., 1991
Wu, Huey S.; Pividal, Katherine A.; Sandler, Stanley I.,
Vapor-liquid equilibria of hydrocarbons and fuel oxygenates,
J. Chem. Eng. Data, 1991, 36, 4, 418-421, https://doi.org/10.1021/je00004a021
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Ambrose, Ellender, et al., 1976
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds XLIII. Vapour pressures of some ethers,
The Journal of Chemical Thermodynamics, 1976, 8, 2, 165-178, https://doi.org/10.1016/0021-9614(76)90090-2
. [all data]
Andon and Martin, 1975, 2
Andon, R.J.L.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds. 40. Heat capacity and entropy of six ethers,
J. Chem. Thermodynam., 1975, 7, 593-606. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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