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Butane, 1-methoxy-

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Gas phase thermochemistry 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:
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
Deltafgas-258.1 ± 1.1kJ/molCcbFenwick, Harrop, et al., 1975ALS
Quantity Value Units Method Reference Comment
gas390.1J/mol*KN/AAndon R.J.L., 1975GT

Condensed phase thermochemistry 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:
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
Deltafliquid-290.5 ± 1.3kJ/molCcbFenwick, Harrop, et al., 1975ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3391.99kJ/molCcbFenwick, Harrop, et al., 1975Corresponding «DELTA»fliquid = -290.54 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid295.3J/mol*KN/AAndon and Martin, 1975DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
192.48298.15Villamanan, Casanova, et al., 1982DH
192.7298.15Andon and Martin, 1975T = 12 to 350 K.; DH
193.0298.15Fenwick, Harrop, et al., 1975, 2DH

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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
Tboil344.2KN/AWeast and Grasselli, 1989BS
Tboil343.KN/AAmerican Tokyo Kasei, 1988BS
Tboil343.3KN/AMajer and Svoboda, 1985 
Tboil335.KN/ADoering and Young, 1952Uncertainty assigned by TRC = 3. K; TRC
Tboil343.9KN/ASpurr and Zeitlin, 1950Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple157.48KN/AAndon and Martin, 1975, 2Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc512.8KN/AMajer and Svoboda, 1985 
Tc512.78KN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.1 K; TRC
Tc512.72KN/AZawisza and Glowka, 1971Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Pc33.71barN/AAmbrose, Broderick, et al., 1974Uncertainty assigned by TRC = 0.08 bar; TRC
Pc33.18barN/AZawisza and Glowka, 1971Uncertainty assigned by TRC = 0.5066 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.329l/molN/AZawisza and Glowka, 1971Uncertainty assigned by TRC = 0.003 l/mol; TRC
Quantity Value Units Method Reference Comment
Deltavap32.5 ± 0.1kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
29.55343.3N/AMajer and Svoboda, 1985 
32.5308.AStephenson and Malanowski, 1987Based on data from 293. - 367. K.; AC
29.6343.N/AAmbrose, Ellender, et al., 1976Based on data from 265. - 367. K.; AC
32.4311.EBCidlinský and Polák, 1969Based on data from 296. - 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)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 358.48.720.2815512.8Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference
296.11 - 342.104.008781160.272-53.444Cidlinský and Polák, 1969

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
10.850157.48Andon and Martin, 1975DH
10.85157.5Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
68.90157.48Andon and Martin, 1975DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C5H12O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)820.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity791.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion640.kJ/molN/AN/A 

Ionization energy determinations

IE (eV) Method Reference Comment
9.54EIHolmes, Fingas, et al., 1981LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Gas Chromatography, NIST Free Links, 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

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Mass spectrum
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Additional Data

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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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L120.594.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.601.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon M130.600.Golovnya and Garbuzov, 1974N2, Chromosorb W; Column length: 2.1 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5616.Savel'eva, Zenkevich, et al., 200325. m/0.20 mm/0.33 «mu»m, Helium, 40. C @ 1. min, 5. K/min, 270. C @ 15. min

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySE-30615.Vinogradov, 2004Program: not specified
PackedApiezon L602.3Keiko, Prokop'ev, et al., 1972Program: not specified
PackedSqualane604.4Keiko, Prokop'ev, et al., 1972Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M755.Vinogradov, 2004Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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]

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]

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]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Golovnya and Garbuzov, 1974
Golovnya, R.V.; Garbuzov, V.G., Effect of heteroatom in aliphatic sulfur- and oxygen-containing compounds on the values of the retention indices in gas chromatography, Izv. Akad. Nauk SSSR Ser. Khim., 1974, 7, 1519-1521. [all data]

Savel'eva, Zenkevich, et al., 2003
Savel'eva, E.I.; Zenkevich, I.G.; Radilov, A.S., Identification the Products of Chemical Neutralization of O-Isobutyl-S-(2-diethylaminoethyl)methylthiophosphonate in the Composition of Bitumen-Salt Matrices, Zh. Anal. Khim. (Rus.), 2003, 58, 2, 135-145. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Keiko, Prokop'ev, et al., 1972
Keiko, V.V.; Prokop'ev, B.V.; Kuz'menko, L.P.; Kalinina, N.A.; Modonov, V.B., The use of an additive scheme of calculation of the indices of retention in gas-liquid chromatography communication. 3. Some regularities in the manifestation of the inductive effect, Izv. Akad. Nauk Kaz. SSR Ser. Khim., 1972, 12, 2629-2633. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References