Butane, 2-methyl-

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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
Δfgas-153.7 ± 0.59kJ/molCcbGood, 1970ALS
Δfgas-154.1 ± 0.96kJ/molCmPilcher and Chadwick, 1967ALS
Δfgas-154.5 ± 0.84kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcgas-3528.4 ± 0.92kJ/molCmPilcher and Chadwick, 1967Corresponding Δfgas = -154.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-3528.6 ± 0.63kJ/molCmKnowlton and Rossini, 1939Corresponding Δfgas = -153.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-3527.6 ± 3.5kJ/molCcbRoth and Pahlke, 1936Reanalyzed by Cox and Pilcher, 1970, Original value = -3529.0 kJ/mol; Corresponding Δfgas = -155.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
84.94200.Scott D.W., 1974Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculations [ Pitzer K.S., 1946, Scott D.W., 1951].; GT
110.37273.15
118.9 ± 0.4298.15
119.50300.
152.88400.
183.26500.
210.04600.
233.05700.
253.13800.
270.70900.
286.191000.
299.571100.
311.291200.
322.171300.
330.541400.
338.901500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
125.31 ± 0.37317.20Scott D.W., 1951GT
139.12 ± 0.42358.15
153.64 ± 0.46402.30
168.36 ± 0.51449.20
179.62 ± 0.54487.05

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
Δfliquid-178.2 ± 0.88kJ/molCcbGood, 1970Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -178.9 ± 0.59 kJ/mol; ALS
Δfliquid-179.3 ± 0.84kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcliquid-3504.4 ± 0.84kJ/molCcbGood, 1970Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -3503.6 ± 0.46 kJ/mol; Corresponding Δfliquid = -178.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3503.3 ± 0.75kJ/molCcbProsen and Rossini, 1945Corresponding Δfliquid = -179.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid260.41J/mol*KN/AGuthrie and Huffman, 1943DH
liquid261.04J/mol*KN/ASchumann, Aston, et al., 1942DH
liquid254.4J/mol*KN/AParks, Huffman, et al., 1930Extrapolation below 90 K, 57.49 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
164.5298.3Czarnota, 1988T = 289 to 299 K. p = 0.1 MPa. Unsmoothed experimental datum. Cp values provided over the pressure range 0.1 to 820 MPa.; DH
164.85298.15Guthrie and Huffman, 1943T = 13 to 300 K.; DH
169.41290.Schumann, Aston, et al., 1942T = 20 to 290 K.; DH
157.3275.8Parks, Huffman, et al., 1930T = 80 to 276 K. Value is unsmoothed experimental datum.; DH

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, 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, 1943, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple113.39KN/ASchumann, Aston, et al., 1942, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple112.6KN/AParks, Huffman, et al., 1930, 2Uncertainty 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
Pc33.8 ± 0.5barN/ADaubert, 1996 
Pc33.81barN/ADas, Reed, et al., 1977Uncertainty assigned by TRC = 0.5066 bar; TRC
Pc34.106barN/AVohra and Kobe, 1959Uncertainty assigned by TRC = 0.1013 bar; TRC
Pc33.355barN/AYoung, 1910Uncertainty assigned by TRC = 0.667 bar; TRC
Pc32.70barN/AAltschul, 1893Uncertainty assigned by TRC = 0.9807 bar; 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
Δvap25.22kJ/molN/AMajer and Svoboda, 1985 
Δvap24.8kJ/molN/AReid, 1972AC
Δvap24.8 ± 0.1kJ/molVScott, McCullough, et al., 1951flow calorimeter and metal cycling vaporizer; ALS
Δvap25.0kJ/molCSchumann, Aston, et al., 1942AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
24.69301.N/AMajer and Svoboda, 1985 
24.832293.95N/ASchumann, Aston, et al., 1942P = 79.15 kPa; DH
26.9270.N/AEwing and Goodwin, 1991Based on data from 255. to 323. K.; AC
28.5231.AStephenson and Malanowski, 1987Based on data from 216. to 323. K.; AC
25.2315.AStephenson and Malanowski, 1987Based on data from 300. to 460. K.; AC
25.2335.AStephenson and Malanowski, 1987Based on data from 320. to 391. K.; AC
24.8400.AStephenson and Malanowski, 1987Based on data from 385. to 416. K.; AC
25.3427.AStephenson and Malanowski, 1987Based on data from 412. to 460. K.; AC
24.4310.N/ADas, Reed, et al., 1977, 2AC
21.5350.N/ADas, Reed, et al., 1977, 2AC
18.0390.N/ADas, Reed, et al., 1977, 2AC
12.9430.N/ADas, Reed, et al., 1977, 2AC
30.2205.N/AStull, 1947Based on data from 190. to 300. K.; AC
26.2295.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) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
279. to 301.39.020.267460.4Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
84.48293.95Schumann, Aston, et al., 1942P; DH

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 Comment
190.3 to 300.93.909351018.516-40.081Stull, 1947Coefficents calculated by NIST from author's data.
300.9 to 453.53.971831021.864-43.231Stull, 1947Coefficents calculated by NIST from author's data.
289.44 to 301.743.914571020.012-40.053Williamham, Taylor, et al., 1945 

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
5.1555113.37Guthrie and Huffman, 1943DH
5.130113.39Schumann, Aston, et al., 1942DH
5.13113.4Domalski and Hearing, 1996AC
5.113112.6Parks, Huffman, et al., 1930DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
45.48113.37Guthrie and Huffman, 1943DH
45.24113.39Schumann, Aston, et al., 1942DH
45.23113.4Domalski and Hearing, 1996CAL
45.41112.6Parks, Huffman, et al., 1930DH

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:


Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00072 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00073 LN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed 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:
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

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed 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

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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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61287

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References

Go To: Top, Gas phase thermochemistry data, Condensed 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.

Good, 1970
Good, W.D., The enthalpies of combustion and formation of the isomeric pentanes, J. Chem. Thermodyn., 1970, 2, 237-244. [all data]

Pilcher and Chadwick, 1967
Pilcher, G.; Chadwick, J.D.M., Measurements of heats of combustion by flame calorimetry. Part 4.-n-Pentane, isopentane, neopentane, Trans. Faraday Soc., 1967, 63, 2357-2361. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Knowlton and Rossini, 1939
Knowlton, J.W.; Rossini, F.D., Heats of combustion of tetramethylmethane and 2-methylbutane, J. Res. NBS, 1939, 22, 415-424. [all data]

Roth and Pahlke, 1936
Roth, W.A.; Pahlke, H., Sekundare eichsubstanz fur verbrennungscalorimeter fur gase und dampfe. Die verbrennungswarme von isopentandampf, Angew. Chem., 1936, 49, 618-619. [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]

Scott D.W., 1974
Scott D.W., Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]

Scott D.W., 1974, 2
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Pitzer K.S., 1946
Pitzer K.S., The entropies and related properties of branched paraffin hydrocarbons, Chem. Rev., 1946, 39, 435-447. [all data]

Scott D.W., 1951
Scott D.W., 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, 1707-1712. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Guthrie and Huffman, 1943
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]

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, 1039-1043. [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, 1032-1041. [all data]

Czarnota, 1988
Czarnota, I., Heat capacity of 2-methylbutane at high pressures, J. Chem. Thermodynam., 1988, 20, 457-462. [all data]

Guthrie and Huffman, 1943, 2
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, 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. [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, 1032-41. [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]

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]

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]

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References