Butane, 1-methoxy-
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChIKey: CXBDYQVECUFKRK-UHFFFAOYSA-N
- CAS Registry Number: 628-28-4
- 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, butyl methyl; Butyl methyl ether; Methyl butyl ether; Methyl n-butyl ether; 1-Methoxybutane; n-C4H9OCH3; n-Butyl methyl ether; α-Methoxybutane; UN 2350
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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:
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 | -258.1 ± 1.1 | kJ/mol | Ccb | Fenwick, Harrop, et al., 1975 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 390.1 | 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, 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:
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 | -290.5 ± 1.3 | kJ/mol | Ccb | Fenwick, Harrop, et al., 1975 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3391.99 | kJ/mol | Ccb | Fenwick, Harrop, et al., 1975 | Corresponding ΔfHºliquid = -290.54 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 295.3 | 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 |
---|---|---|---|
192.48 | 298.15 | Villamanan, Casanova, et al., 1982 | DH |
192.7 | 298.15 | Andon and Martin, 1975 | T = 12 to 350 K.; DH |
193.0 | 298.15 | Fenwick, Harrop, et al., 1975, 2 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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 | 344.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 343. | K | N/A | American Tokyo Kasei, 1988 | BS |
Tboil | 343.3 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 335. | K | N/A | Doering and Young, 1952 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 343.9 | K | N/A | Spurr and Zeitlin, 1950 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 157.48 | K | N/A | Andon and Martin, 1975, 2 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 512.8 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 512.78 | K | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 512.72 | K | N/A | Zawisza and Glowka, 1971 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.71 | bar | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.08 bar; TRC |
Pc | 33.18 | bar | N/A | Zawisza and Glowka, 1971 | Uncertainty assigned by TRC = 0.5066 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.329 | l/mol | N/A | Zawisza and Glowka, 1971 | Uncertainty assigned by TRC = 0.003 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 32.5 ± 0.1 | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.55 | 343.3 | N/A | Majer and Svoboda, 1985 | |
32.5 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 367. K.; AC |
29.6 | 343. | N/A | Ambrose, Ellender, et al., 1976 | Based on data from 265. to 367. K.; AC |
32.4 | 311. | EB | Cidlinský and Polák, 1969 | Based on data from 296. to 342. K.; 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 358. | 48.72 | 0.2815 | 512.8 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
296.11 to 342.10 | 4.00878 | 1160.272 | -53.444 | Cidlinský and Polák, 1969 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.850 | 157.48 | Andon and Martin, 1975 | DH |
10.85 | 157.5 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
68.90 | 157.48 | Andon and Martin, 1975 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: 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-9156 |
NIST MS number | 233503 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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.
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]
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]
Villamanan, Casanova, et al., 1982
Villamanan, M.A.; Casanova, C.; Roux-Desgranges, G.; Grolier, J.-P.E.,
Thermochemical behavior of mixtures of n-alcohol + aliphatic ether: heat capacities and volumes at 298.15 K,
Thermochim. Acta, 1982, 52, 279-283. [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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [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]
Doering and Young, 1952
Doering, W. vonE.; Young, R.W.,
Configurational Interrelationships of Some Secondary Carbinols,
J. Am. Chem. Soc., 1952, 74, 2997-9. [all data]
Spurr and Zeitlin, 1950
Spurr, R.A.; Zeitlin, H.,
The dipole moments of some aliphatic ethers,
J. Am. Chem. Soc., 1950, 72, 4832. [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]
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]
Zawisza and Glowka, 1971
Zawisza, A.C.; Glowka, S.,
Liquid-vapor equilibriums and thermodynamic functions of methyl n-butyl ether-sulfur dioxide and methyl n-pentyl ether-sulfur dioxide systems up to 300.deg. and 77.81 atm,
Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1971, 19, 191. [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]
Cidlinský and Polák, 1969
Cidlinský, J.; Polák, J.,
Saturated vapour pressures of some ethers,
Collect. Czech. Chem. Commun., 1969, 34, 4, 1317-1321, https://doi.org/10.1135/cccc19691317
. [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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 Ttriple Triple point temperature Vc Critical volume 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 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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