Butane, 2-methyl-

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Phase change data

Go To: Top, 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 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil301.1 ± 0.2KAVGN/AAverage of 67 out of 76 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus113. ± 1.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple113.37KN/AGuthrie and Huffman, 1943Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple113.39KN/ASchumann, Aston, et al., 1942Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple112.6KN/AParks, Huffman, et al., 1930Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc461. ± 5.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Pc33.4 ± 0.5atmN/ADaubert, 1996 
Pc33.37atmN/ADas, Reed, et al., 1977Uncertainty assigned by TRC = 0.5000 atm; TRC
Pc33.660atmN/AVohra and Kobe, 1959Uncertainty assigned by TRC = 0.09998 atm; TRC
Pc32.919atmN/AYoung, 1910Uncertainty assigned by TRC = 0.658 atm; TRC
Pc32.27atmN/AAltschul, 1893Uncertainty assigned by TRC = 0.9679 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.306l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
ρc3.27 ± 0.05mol/lN/ADaubert, 1996 
ρc3.247mol/lN/AHolcomb, Magee, et al., 1995Uncertainty assigned by TRC = 0.06 mol/l; TRC
ρc3.27mol/lN/ADas, Reed, et al., 1977Uncertainty assigned by TRC = 0.03 mol/l; TRC
ρc3.27mol/lN/AVohra and Kobe, 1959Uncertainty assigned by TRC = 0.1 mol/l; TRC
ρc3.247mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap6.028kcal/molN/AMajer and Svoboda, 1985 
Δvap5.93kcal/molN/AReid, 1972AC
Δvap5.94 ± 0.03kcal/molVScott, McCullough, et al., 1951flow calorimeter and metal cycling vaporizer; ALS
Δvap5.98kcal/molCSchumann, Aston, et al., 1942, 2AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.901301.N/AMajer and Svoboda, 1985 
5.9350293.95N/ASchumann, Aston, et al., 1942, 2P = 79.15 kPa; DH
6.43270.N/AEwing and Goodwin, 1991Based on data from 255. to 323. K.; AC
6.81231.AStephenson and Malanowski, 1987Based on data from 216. to 323. K.; AC
6.02315.AStephenson and Malanowski, 1987Based on data from 300. to 460. K.; AC
6.02335.AStephenson and Malanowski, 1987Based on data from 320. to 391. K.; AC
5.93400.AStephenson and Malanowski, 1987Based on data from 385. to 416. K.; AC
6.05427.AStephenson and Malanowski, 1987Based on data from 412. to 460. K.; AC
5.83310.N/ADas, Reed, et al., 1977, 2AC
5.14350.N/ADas, Reed, et al., 1977, 2AC
4.30390.N/ADas, Reed, et al., 1977, 2AC
3.08430.N/ADas, Reed, et al., 1977, 2AC
7.22205.N/AStull, 1947Based on data from 190. to 300. K.; AC
6.26295.MMWillingham, Taylor, et al., 1945Based on data from 289. to 301. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
279. to 301.9.3260.267460.4Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
20.19293.95Schumann, Aston, et al., 1942, 2P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
190.3 to 300.93.903641018.516-40.081Stull, 1947Coefficents calculated by NIST from author's data.
300.9 to 453.53.966121021.864-43.231Stull, 1947Coefficents calculated by NIST from author's data.
289.44 to 301.743.908861020.012-40.053Williamham, Taylor, et al., 1945 

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.2322113.37Guthrie and Huffman, 1943, 2DH
1.226113.39Schumann, Aston, et al., 1942, 2DH
1.23113.4Domalski and Hearing, 1996AC
1.222112.6Parks, Huffman, et al., 1930, 2DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
10.87113.37Guthrie and Huffman, 1943, 2DH
10.81113.39Schumann, Aston, et al., 1942, 2DH
10.81113.4Domalski and Hearing, 1996CAL
10.85112.6Parks, Huffman, et al., 1930, 2DH

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, 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.32 ± 0.05eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.21PITraeger, Hudson, et al., 1996T = 0K; LL
10.18ESTLuo and Pacey, 1992LL
10.22PITraeger, 1981LLK
10.3 ± 0.1PEBieri, Burger, et al., 1977LLK
10.50 ± 0.05EIFlesch and Svec, 1973LLK
10.32PEDewar and Worley, 1969RDSH
10.32PIWatanabe, Nakayama, et al., 1962RDSH
10.94PEKimura, Katsumata, et al., 1981Vertical value; LLK
11.0 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+10.66C2H6PITraeger, Hudson, et al., 1996T = 0K; LL
C3H6+10.84 ± 0.025C2H6PISteiner, Giese, et al., 1961RDSH
C3H7+11.06C2H5PITraeger, Hudson, et al., 1996T = 0K; LL
C3H7+11.15 ± 0.05C2H5PISteiner, Giese, et al., 1961RDSH
C4H8+10.72CH4PITraeger, Hudson, et al., 1996T = 0K; LL
C4H8+10.74 ± 0.02CH4PISteiner, Giese, et al., 1961RDSH
C4H9+10.96CH3PITraeger, Hudson, et al., 1996T = 0K; LL
C4H9+10.87CH3PITraeger, 1981LLK
C4H9+11.15 ± 0.07CH3PISteiner, Giese, et al., 1961RDSH

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Guthrie and Huffman, 1943
Guthrie, G.B.; Huffman, H.M., Thermal data. XVI. the heat capacity and entropy of isopentane. the absence of a reported anomaly., J. Am. Chem. Soc., 1943, 65, 1139. [all data]

Schumann, Aston, et al., 1942
Schumann, S.C.; Aston, J.G.; Sagenkahn, M., The Heat Capacity and Entropy, Heats of Fusion and Vaporization and the Vapor Pressures of Isopentane, J. Am. Chem. Soc., 1942, 64, 1039. [all data]

Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal Data on Organic Compounds VI. The Heat Capacities, Entropies and Free Energies of Some Saturated, Non-Benzenoid Hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-41. [all data]

Daubert, 1996
Daubert, T.E., Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes, J. Chem. Eng. Data, 1996, 41, 365-372. [all data]

Das, Reed, et al., 1977
Das, T.R.; Reed, C.O.; Eubank, P.T., PVT Surface and Thermodindynamic Properties of Isopentane., J. Chem. Eng. Data, 1977, 22, 9. [all data]

Vohra and Kobe, 1959
Vohra, S.P.; Kobe, K.A., Volumetric Behaviour and Critical Constants of Isopentane, J. Chem. Eng. Data, 1959, 4, 329. [all data]

Young, 1910
Young, S., The Internal Heat of Vaporization constants of thirty pure substances, Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]

Altschul, 1893
Altschul, M., The critical values of some organic compounds, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1893, 11, 577. [all data]

Holcomb, Magee, et al., 1995
Holcomb, C.D.; Magee, J.W.; Haynes, W.M., Density Measurements on Natural Gas Liquids, Research Report RR-147, Gas Processors Association Project 916, 1995. [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]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Scott, McCullough, et al., 1951
Scott, D.W.; McCullough, J.P.; Williamson, K.D.; Waddington, G., Rotational isomerism and thermodynamic functions of 2-methylbutane and 2,3-dimethylbutane. Vapor heat capacity and heat of vaporization of 2-methylbutane, J. Am. Chem. Soc., 1951, 73, 1707-17. [all data]

Schumann, Aston, et al., 1942, 2
Schumann, S.C.; Aston, J.G.; Sagenkahn, M., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressures of isopentane, J. Am. Chem. Soc., 1942, 64, 1039-1043. [all data]

Ewing and Goodwin, 1991
Ewing, M.B.; Goodwin, A.R.H., Vapour pressures of 2-methylbutane determined using comparative ebulliometry, The Journal of Chemical Thermodynamics, 1991, 23, 12, 1163-1168, https://doi.org/10.1016/S0021-9614(05)80149-1 . [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]

Das, Reed, et al., 1977, 2
Das, Tarun R.; Reed, Charles O.; Eubank, Philip T., PVT surface and thermodynamic properties of neopentane, J. Chem. Eng. Data, 1977, 22, 1, 16-21, https://doi.org/10.1021/je60072a025 . [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]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

Guthrie and Huffman, 1943, 2
Guthrie, G.B., Jr.; Huffman, H.M., Thermal data. XVI. The heat capacity and entropy of isopentane. The absence of a reported anomaly, J. Am. Chem. Soc., 1943, 65, 1139-1143. [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]

Parks, Huffman, et al., 1930, 2
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]

Traeger, Hudson, et al., 1996
Traeger, J.C.; Hudson, C.E.; McAdoo, D.J., A photoionization study of the ion-neutral complexes [CH3CH+CH3CH2CH3] and [CH3CH2CH+CH3CH3] in the gas phase: Formation, H-transfer and C-C bond formation between partners, and channeling of energy into dissociation, J. Am. Soc. Mass Spectrom., 1996, 7, 73. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Traeger, 1981
Traeger, J.C., Heat of formation of sec-butyl cation in the gas phase, Org. Mass Spectrom., 1981, 16, 193. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Flesch and Svec, 1973
Flesch, G.D.; Svec, H.J., Fragmentation reactions in the mass spectrometer for C2-C5 alkanes, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1187. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [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]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References