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Pentane, 2-methyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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
Deltafgas-174.3 ± 1.0kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Deltacgas-4157.7 ± 0.96kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fgas = -204.2 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
101.34200.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 calculation [ Pitzer K.S., 1946] (see also [ Waddington G., 1949]).; GT
131.88273.15
142.2 ± 0.2298.15
143.01300.
183.51400.
219.83500.
251.04600.
277.40700.
300.41800.
320.08900.
337.231000.
351.871100.
364.841200.
376.561300.
389.111400.
397.481500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
153.85325.10Waddington G., 1949GT
168.62362.15
184.43402.25
197.23436.20
209.87471.15

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-204.3 ± 1.0kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
liquid290.58J/mol*KN/ADouslin and Huffman, 1946DH
liquid292.5J/mol*KN/AStull, 1937Extrapolation below 90 K, 103.72 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
194.19298.15Ohnishi, Fujihara, et al., 1989DH
193.96298.15Benson and D'Arcy, 1986DH
193.92298.15Benson, D'Arcy, et al., 1984DH
193.84298.15Aicart, Kumaran, et al., 1983DH
193.84298.15Benson, D'Arcy, et al., 1983DH
193.7298.15Douslin and Huffman, 1946T = 13 to 300 K.; DH
198.45298.1Stull, 1937T = 90 to 320 K.; 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
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

Quantity Value Units Method Reference Comment
Tboil334. ± 1.KAVGN/AAverage of 71 out of 73 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus120. ± 7.KAVGN/AAverage of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple119.55KN/ADouslin and Huffman, 1946, 2Uncertainty assigned by TRC = 0.07 K; TRC
Ttriple119.55KN/AHuffman, 1945Uncertainty assigned by TRC = 0.03 K; based on To = 273.16 K; TRC
Ttriple119.7KN/AStull, 1937, 2Uncertainty assigned by TRC = 0.1 K; measured by Wojciechowski; TRC
Quantity Value Units Method Reference Comment
Tc497.8 ± 0.4KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Pc30.35 ± 0.07barAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.368l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
rhoc2.72 ± 0.02mol/lN/ADaubert, 1996 
rhoc2.734mol/lN/AHolcomb, Magee, et al., 1995Uncertainty assigned by TRC = 0.05 mol/l; TRC
rhoc2.72mol/lN/AGenco, Teja, et al., 1980Uncertainty assigned by TRC = 0.06 mol/l; TRC
rhoc2.73mol/lN/AKay, 1946Uncertainty assigned by TRC = 0.02 mol/l; by extrapolation of rectilinear diameter to Tc; TRC
Quantity Value Units Method Reference Comment
Deltavap29. ± 4.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
27.79333.4N/AMajer and Svoboda, 1985 
30.2305.N/ASapei, Uusi-Kyyny, et al., 2010Based on data from 290. - 333. K.; AC
30.0316.N/APokki, Uusi-Kyyny, et al., 2002Based on data from 301. - 333. K.; AC
29.7325.N/AAucejo, Loras, et al., 1998Based on data from 310. - 359. K.; AC
30.5308.AStephenson and Malanowski, 1987Based on data from 293. - 335. K.; AC
28.7 ± 0.1318.CWaddington, Smith, et al., 1949AC
27.8 ± 0.1333.CWaddington, Smith, et al., 1949AC
30.4301.MMWillingham, Taylor, et al., 1945Based on data from 286. - 334. K.; AC
29.8 ± 0.2293.CLemons and Felsing, 1943AC
29.0 ± 0.2313.CLemons and Felsing, 1943AC
27.6 ± 0.2333.CLemons and Felsing, 1943AC
26.9 ± 0.2353.CLemons and Felsing, 1943AC

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. - 333.45.250.2739497.5Majer 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
285.91 - 334.223.96401135.41-46.578Williamham, Taylor, et al., 1945

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.268119.55Douslin and Huffman, 1946DH
6.27119.6Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
52.43119.55Douslin and Huffman, 1946DH

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Hydrogen + 1-Pentene, 2-methyl- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-116.3 ± 0.43kJ/molChydRogers, Crooks, et al., 1987liquid phase
Deltar-115.6 ± 2.2kJ/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane

Hydrogen + 2-Pentene, 4-methyl-, (Z)- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-116.9 ± 0.38kJ/molChydRogers, Crooks, et al., 1987liquid phase
Deltar-114.kJ/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid

Hydrogen + 2-Pentene, 4-methyl-, (E)- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-114.2 ± 0.57kJ/molChydRogers, Crooks, et al., 1987liquid phase
Deltar-110.kJ/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid

2Hydrogen + cis-2-Methyl-1-vinylcyclopropane = Pentane, 2-methyl-

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Deltar-270. ± 0.4kJ/molChydRoth, Kirmse, et al., 1982liquid phase; solvent: Isooctane

n-Hexane = Pentane, 2-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Deltar-5.44 ± 0.88kJ/molCisoProsen and Rossini, 1941liquid phase; Calculated from «DELTA»Hc

Hydrogen + 1-Pentene, 4-methyl- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-126.7 ± 0.43kJ/molChydRogers, Crooks, et al., 1987liquid phase

Hydrogen + 2-Pentene, 2-methyl- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-111.6 ± 0.74kJ/molChydRogers, Crooks, et al., 1987liquid phase

Pentane, 2-methyl- = Pentane, 3-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Deltar0.92 ± 0.46kJ/molEqkRoganov, Kabo, et al., 1972gas phase; At 368 K

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
0.00057 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.13960.XN/A 
0.00060 LN/A 
0.00058 VN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, 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:
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

Ionization energy determinations

IE (eV) Method Reference Comment
10.04ESTLuo and Pacey, 1992LL
9.89 ± 0.15EQMautner(Meot-Ner), Sieck, et al., 1981LLK
10.12PIWatanabe, Nakayama, et al., 1962RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+10.91 ± 0.05C3H8PISteiner, Giese, et al., 1961RDSH
C3H7+~11.35 ± 0.10C3H7PISteiner, Giese, et al., 1961RDSH
C4H8+10.65 ± 0.015C2H6PISteiner, Giese, et al., 1961RDSH
C4H9+10.73 ± 0.02C2H5PISteiner, Giese, et al., 1961RDSH
C5H10+10.835 ± 0.025CH4PISteiner, Giese, et al., 1961RDSH
C5H11+10.865 ± 0.085CH3PISteiner, Giese, et al., 1961RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
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NIST MS number 19377

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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.

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]

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]

Waddington G., 1949
Waddington G., Experimental vapor heat capacities and heats of vaporization of 2-methylpentane, 3-methylpentane, and 2,3-dimethylbutane, J. Am. Chem. Soc., 1949, 71, 3902-3906. [all data]

Douslin and Huffman, 1946
Douslin, D.R.; Huffman, H.M., Low-temperature thermal data on the five isometric hexanes, J. Am. Chem. Soc., 1946, 68, 1704-1708. [all data]

Stull, 1937
Stull, D.R., A semi-micro calorimeter for measuring heat capacities at low temperatures, J. Am. Chem. Soc., 1937, 59, 2726-2733. [all data]

Ohnishi, Fujihara, et al., 1989
Ohnishi, K.; Fujihara, I.; Murakami, S., Thermodynamic properties of decalins mixed with hexane isomers at 298.15K. 1. Excess enthalpies and excess isobaric heat capacities, Fluid Phase Equilib., 1989, 46, 59-72. [all data]

Benson and D'Arcy, 1986
Benson, G.C.; D'Arcy, P.J., Heat capacities of binary mixtures of n-octane with each of the hexane isomers at 298.15 K, Can. J. Chem., 1986, 64, 2139-2141. [all data]

Benson, D'Arcy, et al., 1984
Benson, G.C.; D'Arcy, P.J.; Kumaran, M.K., Heat capacities of binary mixtures of n-heptane with hexane isomers, Thermochim. Acta, 1984, 75, 353-360. [all data]

Aicart, Kumaran, et al., 1983
Aicart, E.; Kumaran, M.K.; Halpin, C.J.; Benson, G.C., Ultrasonic speeds and isentropic compressibilities of 2-methylpentan-1-ol with hexane isomers at 298.15 K, J. Chem. Thermodynam., 1983, 15, 1189-1197. [all data]

Benson, D'Arcy, et al., 1983
Benson, G.C.; D'Arcy, P.J.; Sugamori, M.E., Heat capacities of binary mixtures of 1-hexanol with hexane isomers at 298.15 K, Thermochim. Acta, 1983, 71, 161-166. [all data]

Douslin and Huffman, 1946, 2
Douslin, D.R.; Huffman, H.M., Low-Temperature Thermal Data on the Five Isomeric Hexanes, J. Am. Chem. Soc., 1946, 68, 1704. [all data]

Huffman, 1945
Huffman, H.M., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, July 25, 1945. [all data]

Stull, 1937, 2
Stull, D.R., A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp., J. Am. Chem. Soc., 1937, 59, 2726. [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]

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]

Genco, Teja, et al., 1980
Genco, J.M.; Teja, A.S.; Kay, W.B., Study of the critical and azeotropic behavior of binary mixtures I critical states of perfluoromethylcyclohexane + isomeric hexane systems, J. Chem. Eng. Data, 1980, 25, 350. [all data]

Kay, 1946
Kay, W.B., The Vapor Pressures and Saturated Liquid and Vapor Densities of the Isomeric Hexanes, J. Am. Chem. Soc., 1946, 68, 1336. [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]

Sapei, Uusi-Kyyny, et al., 2010
Sapei, Erlin; Uusi-Kyyny, Petri; Keskinen, Kari I.; Alopaeus, Ville, Phase equilibria of binary systems of 3-methylthiophene with four different hydrocarbons, Fluid Phase Equilibria, 2010, 288, 1-2, 155-160, https://doi.org/10.1016/j.fluid.2009.11.004 . [all data]

Pokki, Uusi-Kyyny, et al., 2002
Pokki, Juha-Pekka; Uusi-Kyyny, Petri; Aittamaa, Juhani; Liukkonen, Simo, Vapor-Liquid Equilibrium for the 2-Methylpentane + 2-Methyl-2-propanol and + 2-Butanol Systems at 329 K, J. Chem. Eng. Data, 2002, 47, 2, 371-375, https://doi.org/10.1021/je0155296 . [all data]

Aucejo, Loras, et al., 1998
Aucejo, Antonio; Loras, Sonia; Muñoz, Rosa; Reich, Ricardo; Segura, Hugo, Isobaric Vapor-Liquid Equilibrium in the Systems 2-Methylpentane + Methyl 1,1-Dimethylethyl Ether, + Ethyl 1,1-Dimethylethyl Ether, and + Methyl 1,1-Dimethylpropyl Ether, J. Chem. Eng. Data, 1998, 43, 6, 973-977, https://doi.org/10.1021/je980090b . [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]

Waddington, Smith, et al., 1949
Waddington, G.; Smith, J.C.; Scott, D.W.; Huffman, H.M., Experimental vapor heat capacities and heats of vaporization of 2-methylpentane, 3-methylpentane and 2,3-dimethylbutane, J. Am. Chem. Soc., 1949, 71, 3902-3906. [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]

Lemons and Felsing, 1943
Lemons, Joe Fred; Felsing, W.A., The Heats of Vaporization of Some Hexanes 1, J. Am. Chem. Soc., 1943, 65, 1, 46-48, https://doi.org/10.1021/ja01241a015 . [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]

Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K., Enthalpies of hydrogenation of the hexenes, J. Chem. Thermodyn., 1987, 19, 1209-1215. [all data]

Molnar, Rachford, et al., 1984
Molnar, A.; Rachford, R.; Smith, G.V.; Liu, R., Heats of hydrogenation by a simple and rapid flow calorimetric method, Appl. Catal., 1984, 9, 219-223. [all data]

Turner, Nettleton, et al., 1958
Turner, R.B.; Nettleton, J.E.; Perelman, Heats of Hydrogenation. VI. Heats of hydrogenation of some substituted ethylenes, J. Am. Chem. Soc., 1958, 80, 1430-1433. [all data]

Roth, Kirmse, et al., 1982
Roth, W.R.; Kirmse, W.; Hoffmann, W.; Lennartz, H.W., Heats of hydrogenation. III. Effect of fluoro substituents on the thermal rearrangement of cyclopropane systems, Chem. Ber., 1982, 115, 2508-2515. [all data]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the five hexanes, J. Res. NBS, 1941, 27, 289-310. [all data]

Roganov, Kabo, et al., 1972
Roganov, G.N.; Kabo, G.Ya.; Andreevskii, D.N., Thermodynamics of the isomerization of methylpentanes and methylheptanes, Neftekhimiya, 1972, 12, 495-500. [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]

Mautner(Meot-Ner), Sieck, et al., 1981
Mautner(Meot-Ner), M.; Sieck, L.W.; Ausloos, P., Ionization of normal alkanes: Enthalpy, entropy, structural, and isotope effects, J. Am. Chem. Soc., 1981, 103, 5342. [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]

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, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References