Ethane, methoxy-
- Formula: C3H8O
- Molecular weight: 60.0950
- IUPAC Standard InChIKey: XOBKSJJDNFUZPF-UHFFFAOYSA-N
- CAS Registry Number: 540-67-0
- 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, ethyl methyl; Ethyl methyl ether; Methane, ethoxy-; Methyl ethyl ether; Methoxyethane; C2H5OCH3; UN 1039
- 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 / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
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, Phase change data, Henry's Law data, Gas phase ion energetics 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 | -51.73 ± 0.16 | kcal/mol | Cm | Pilcher, Pell, et al., 1964 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -503.68 ± 0.15 | kcal/mol | Cm | Pilcher, Pell, et al., 1964 | Corresponding ΔfHºgas = -51.73 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.23 | 100. | Chao J., 1986 | p=1 bar.; GT |
15.16 | 150. | ||
17.67 | 200. | ||
21.10 | 273.15 | ||
22.30 ± 0.026 | 298.15 | ||
22.39 | 300. | ||
27.218 | 400. | ||
31.707 | 500. | ||
35.626 | 600. | ||
39.015 | 700. | ||
41.955 | 800. | ||
44.515 | 900. | ||
46.745 | 1000. | ||
48.688 | 1100. | ||
50.375 | 1200. | ||
51.845 | 1300. | ||
53.124 | 1400. | ||
54.240 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Henry's Law data, Gas phase ion energetics 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 283.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 312.10 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 279.75 | K | N/A | Ipatieff and Burwell, 1941 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 438.03 | K | N/A | Zawisza and Glowka, 1970 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 437.8 | K | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.3 K; by disappearance of meniscus; TRC |
Tc | 437.9 | K | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.3 K; by appearance of turbidity; TRC |
Tc | 441.6 | K | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 4. K; TRC |
Tc | 440.9 | K | N/A | Pawlewski, 1882 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 43.04 | atm | N/A | Zawisza and Glowka, 1970 | Uncertainty assigned by TRC = 0.5000 atm; TRC |
Pc | 43.42 | atm | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.4000 atm; vapor pressure at Tc; TRC |
Pc | 46.27 | atm | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 3.0000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.222 | l/mol | N/A | Zawisza and Glowka, 1970 | Uncertainty assigned by TRC = 0.003 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.529 | mol/l | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 5.109 | mol/l | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 0.33 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.19 | 296. | A | Stephenson and Malanowski, 1987 | Based on data from 281. to 433. K.; AC |
8.84 | 231. | A | Stephenson and Malanowski, 1987 | Based on data from 216. to 299. K.; AC |
8.87 | 296. | A | Stephenson and Malanowski, 1987 | Based on data from 281. to 438. K.; AC |
6.29 | 265. | N/A | Stull, 1947 | Based on data from 182. to 280. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
182. to 280.7 | 4.02731 | 952.618 | -44.189 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
280.7 to 433. | 3.44928 | 600.134 | -108.534 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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 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 | Comment |
---|---|---|---|---|
0.90 | E | N/A | Value obtained by missing citation using the group contribution method. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C3H8O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.72 ± 0.07 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 193.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 186.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.72 ± 0.07 | EI | Bowen and Maccoll, 1984 | LBLHLM |
9.86 | PE | Kimura, Katsumata, et al., 1981 | LLK |
9.72 | EI | Holmes, Fingas, et al., 1981 | LLK |
9.5 | PE | Aue and Bowers, 1979 | LLK |
9.6 ± 0.1 | EI | Ivko, 1970 | RDSH |
9.72 | PE | Hoppilliard and Solgadi, 1980 | Vertical value; LLK |
9.81 | PE | Aue and Bowers, 1979 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 15.02 | ? | EI | Haney and Franklin, 1969 | RDSH |
CH3O+ | ≤11.7 | C2H5 | EI | Lossing, 1977 | LLK |
CH3O+ | 12.9 ± 0.1 | C2H5 | EI | Ivko, 1970 | RDSH |
CH3O+ | 12.50 | C2H5 | EI | Haney and Franklin, 1969 | RDSH |
C2H5O+ | 10.47 ± 0.08 | CH3 | EI | Bowen and Maccoll, 1984 | LBLHLM |
C2H5O+ | 10.47 | CH3 | EI | Lossing, 1977 | LLK |
C2H5O+ | 10.9 ± 0.1 | CH3 | EI | Ivko, 1970 | RDSH |
C2H5O+ | 11.30 | CH3 | EI | Haney and Franklin, 1969 | RDSH |
C2H5O+ | 10.96 | CH3 | EI | Harrison, Ivko, et al., 1966 | RDSH |
C3H7O+ | 10.32 ± 0.08 | H | EI | Bowen and Maccoll, 1984 | LBLHLM |
C3H7O+ | 10.32 | H | EI | Lossing, 1977 | LLK |
C3H7O+ | 10.3 ± 0.1 | H | EI | Ivko, 1970 | RDSH |
C3H7O+ | 10.3 | H | EI | Harrison, Ivko, et al., 1966 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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. |
---|---|
NIST MS number | 150 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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.
Pilcher, Pell, et al., 1964
Pilcher, G.; Pell, A.S.; Coleman, D.J.,
Measurements of heats of combustion by flame calorimetry. Part 2-Dimethyl ether, methyl ethyl ether, methyl n-propyl ether, methyl isopropyl ether,
Trans. Faraday Soc., 1964, 60, 499-505. [all data]
Chao J., 1986
Chao J.,
Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties,
J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [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]
Lecat, 1947
Lecat, M.,
Orthobaric Azeotropes of Sulfides,
Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]
Ipatieff and Burwell, 1941
Ipatieff, V.N.; Burwell, R.L.,
The Catalytic Preparationand Interconversion of Simple and Mixed Ethers,
J. Am. Chem. Soc., 1941, 63, 969. [all data]
Zawisza and Glowka, 1970
Zawisza, A.C.; Glowka, S.,
Liquid-vapour equilibria and thermodynamic functions of methyl ethyl ether - sulphur dioxide system up to 300c and 77.81 atmospheres,
Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1970, 18, 555-60. [all data]
Berthoud and Brum, 1924
Berthoud, A.; Brum, R.,
Physical Properties of Some Organic Compounds.,
J. Chim. Phys. Phys.-Chim. Biol., 1924, 21, 143-60. [all data]
Nadezhdin, 1887
Nadezhdin, A.,
Rep. Phys., 1887, 23, 708. [all data]
Pawlewski, 1882
Pawlewski, B.,
The critical temperatures of ester compounds,
Ber. Dtsch. Chem. Ges., 1882, 15, 2460-4. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Bowen and Maccoll, 1984
Bowen, R.D.; Maccoll, A.,
Low energy, low temperature mass spectra,
Org. Mass Spectrom., 1984, 19, 379. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P.,
Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations,
Can. J. Chem., 1981, 59, 80. [all data]
Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T.,
Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements
in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]
Ivko, 1970
Ivko, A.A.,
Use of mass spectroscopy and isotope labelling for determining the structure of ions and molecules,
Org. Katal., 1970, 20. [all data]
Hoppilliard and Solgadi, 1980
Hoppilliard, Y.; Solgadi, D.,
Conformational analysis of 2-haloethanols and 2-methoxyethylhalides in a photoelectron spectrometer,
Tetrahedron, 1980, 36, 377. [all data]
Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L.,
Excess energies in mass spectra of some oxygen-containing organic compounds,
J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]
Lossing, 1977
Lossing, F.P.,
Heats of formation of some isomeric [CnH2n+1]+ ions. Substitutional effects on ion stability,
J. Am. Chem. Soc., 1977, 99, 7526. [all data]
Harrison, Ivko, et al., 1966
Harrison, A.G.; Ivko, A.; Van Raalte, D.,
Energetics of formation of some oxygenated ions and the proton affinities of carbonyl compounds,
Can. J. Chem., 1966, 44, 1625. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ρc Critical density - 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.