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)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -285.0 | kJ/mol | N/A | Arntz and Gottlieb, 1985 | Value computed using ΔfHliquid° value of -315.4 kj/mol from Arntz and Gottlieb, 1985 and ΔvapH° value of 30.4 kj/mol from Fenwick, Harrop, et al., 1975.; DRB |
ΔfH°gas | -283.2 ± 1.3 | kJ/mol | Ccb | Fenwick, Harrop, et al., 1975 | ALS |
ΔfH°gas | -282.2 ± 1.9 | kJ/mol | Ccb | Smutny and Bondi, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -293. ± 5.0 kJ/mol; Heat of combustion corrected for pressure; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 357.8 | J/mol*K | N/A | Andon R.J.L., 1975 | GT |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -315.4 | kJ/mol | Cm | Arntz and Gottlieb, 1985 | At 319K; ALS |
ΔfH°liquid | -313.6 ± 1.3 | kJ/mol | Ccb | Fenwick, Harrop, et al., 1975 | ALS |
ΔfH°liquid | -322.9 ± 5.0 | kJ/mol | Ccb | Smutny and Bondi, 1961 | Heat of combustion corrected for pressure; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3368.97 | kJ/mol | Ccb | Fenwick, Harrop, et al., 1975 | Corresponding ΔfHºliquid = -313.56 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3359.7 ± 6.5 | kJ/mol | Ccb | Smutny and Bondi, 1961 | Heat of combustion corrected for pressure; Corresponding ΔfHºliquid = -322.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 265.3 | J/mol*K | N/A | Andon and Martin, 1975 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
187.5 | 298.15 | Andon and Martin, 1975 | T = 12 to 350 K.; DH |
187.8 | 298.15 | Fenwick, Harrop, et al., 1975, 2 | DH |
188. | 298. | Evans and Edlund, 1936 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, 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, 2 | 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 | 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 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C5H12O = C4H8 + CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.8 ± 0.4 | kJ/mol | Cm | Arntz and Gottlieb, 1985 | gas phase; At 319K |
By formula: C4H8 + CH4O = C5H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.8 | kJ/mol | Cm | Sol, Perics, et al., 1994 | liquid phase |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
1.6 | 7700. | M | N/A |
1.7 | V | N/A |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Arntz and Gottlieb, 1985
Arntz, H.; Gottlieb, K.,
High-pressure heat-flow calorimeter determination of the enthalpy of reaction for the synthesis of methyl t-butyl ether from methanol and 2-methylpropene,
J. Chem. Thermodyn., 1985, 17, 967-972. [all data]
Fenwick, Harrop, et al., 1975
Fenwick, J.O.; Harrop, D.; Head, A.J.,
Thermodynamic properties of organic oxygen compounds. 41. Enthalpies of formation of eight ethers,
J. Chem. Thermodyn., 1975, 7, 943-954. [all data]
Smutny and Bondi, 1961
Smutny, E.J.; Bondi, A.,
Di-t-butyl ether: Strain energy and physical properties,
J. Phys. Chem., 1961, 65, 546-550. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Andon R.J.L., 1975
Andon R.J.L.,
Thermodynamic properties of organic oxygen compounds. 40. Heat capacity and entropy of six ethers,
J. Chem. Thermodyn., 1975, 7, 593-606. [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. Thermodynam., 1975, 7, 593-606. [all data]
Fenwick, Harrop, et al., 1975, 2
Fenwick, J.O.; Harrop, D.; Head, A.J.,
Thermodynamic properties of organic oxygen compounds. 41. Enthalpies of formation of eight ethers,
J. Chem. Thermodynam., 1975, 7, 944-954. [all data]
Evans and Edlund, 1936
Evans, T.W.; Edlund, K.R.,
Tertiary alkyl ethers preparation and properties,
Ind. Eng. Chem., 1936, 28, 1186-1188. [all data]
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, 2
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]
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]
Sol, Perics, et al., 1994
Sol, L.; Perics, M.A.; Cunill, F.; Iborra, M.,
Reaction calorimetry study of the liquid-phase synthesis of tert-butyl methyl ether,
Ind. Eng. Chem. Res., 1994, 33, 2578-2583. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.