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Propane, 2-bromo-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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-132.4 ± 1.5kJ/molEqkHowlett, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -127.5 kJ/mol

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-133.4kJ/molEqkNesterova and Rozhnov, 1974ALS
Deltafliquid-164.kJ/molCmHolm, 1973Grignard Rx; ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
165.7298.15Shehatta, 1993DH

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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
Tboil346.4KN/AWeast and Grasselli, 1989BS
Tboil348.KN/AAmerican Tokyo Kasei, 1988BS
Tboil346.4KN/AMajer and Svoboda, 1985 
Tboil346.KN/AKornblum, Smiley, et al., 1955Uncertainty assigned by TRC = 2. K; TRC
Tboil346.1KN/AKushner, Crowe, et al., 1950Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tfus256.95KN/ATimmermans, 1952Uncertainty assigned by TRC = 0.4 K; TRC
Tfus256.2KN/AKushner, Crowe, et al., 1950Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Tfus146.KN/ATimmermans, 1935Uncertainty assigned by TRC = 3. K; TRC
Tfus246.05KN/ATimmermans, 1934Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltavap31.93kJ/molN/AMajer and Svoboda, 1985 
Deltavap31.kJ/molN/ABoublik, Fried, et al., 1984Based on data from 270. - 345. K. See also Basarová and Svoboda, 1991.; AC
Deltavap31.8 ± 0.1kJ/molCWadsö, Luoma, et al., 1968AC
Deltavap31.81 ± 0.12kJ/molCWadso, 1968ALS
Deltavap31.0 ± 0.84kJ/molVBryce-Smith and Howlett, 1951ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
29.23346.4N/AMajer and Svoboda, 1985 
31.4263.AStephenson and Malanowski, 1987Based on data from 248. - 346. K.; AC
31.5313.N/ACalero, Valle, et al., 1969Based on data from 298. - 323. K.; AC
31.2288.N/AHull, Campbell, et al., 1951Based on data from 273. - 346. K. See also Boublik, Fried, et al., 1984.; AC

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
273. - 346.04.564451539.717-8.195Bryce-Smith and Howlett, 1951, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
1.97256.1Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
27.08208.6Domalski and Hearing, 1996CAL
4.52231.5
7.68256.1

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

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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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - 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

Bromine anion + Propane, 2-bromo-2-methyl- = (Bromine anion bullet Propane, 2-bromo-2-methyl-)

By formula: Br- + C4H9Br = (Br- bullet C4H9Br)

Quantity Value Units Method Reference Comment
Deltar65.3 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar51.88kJ/molTDAsDougherty, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar80.8J/mol*KHPMSDougherty, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.5 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar28.0kJ/molTDAsDougherty, 1974gas phase; B

Fluorine anion + Propane, 2-bromo-2-methyl- = (Fluorine anion bullet Propane, 2-bromo-2-methyl-)

By formula: F- + C4H9Br = (F- bullet C4H9Br)

Quantity Value Units Method Reference Comment
Deltar93.3 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B
Quantity Value Units Method Reference Comment
Deltar64.0 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B

Chlorine anion + Propane, 2-bromo-2-methyl- = (Chlorine anion bullet Propane, 2-bromo-2-methyl-)

By formula: Cl- + C4H9Br = (Cl- bullet C4H9Br)

Quantity Value Units Method Reference Comment
Deltar74.1 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar37.2 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

Sodium ion (1+) + Propane, 2-bromo-2-methyl- = (Sodium ion (1+) bullet Propane, 2-bromo-2-methyl-)

By formula: Na+ + C4H9Br = (Na+ bullet C4H9Br)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
57.3298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

Propane, 2-bromo-2-methyl- = 1-Propene, 2-methyl- + Hydrogen chloride

By formula: C4H9Br = C4H8 + HCl

Quantity Value Units Method Reference Comment
Deltar79. ± 4.kJ/molEqkKistiakowsky and Stauffer, 1937gas phase; ALS

Hydrogen bromide + 1-Propene, 2-methyl- = Propane, 2-bromo-2-methyl-

By formula: HBr + C4H8 = C4H9Br

Quantity Value Units Method Reference Comment
Deltar-78.868kJ/molEqkHowlett, 1957gas phase; ALS

Propane, 2-bromo-2-methyl- = Propane, 1-bromo-2-methyl-

By formula: C4H9Br = C4H9Br

Quantity Value Units Method Reference Comment
Deltar19.0kJ/molEqkNesterova and Rozhnov, 1974gas phase; ALS

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
0.031 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species. Value at T = 291. K.

Gas phase ion energetics 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 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)9.92 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.95ESTLuo and Pacey, 1992LL
9.95 ± 0.015PEHashmall and Heilbronner, 1970RDSH
9.89 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
9.95PEKimura, Katsumata, et al., 1981Vertical value; LLK
10.05PEFlamini, Semprini, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H9+9.85 ± 0.01BrPIMcLoughlin and Traeger, 1979LLK

Ion clustering 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Propane, 2-bromo-2-methyl- = (Bromine anion bullet Propane, 2-bromo-2-methyl-)

By formula: Br- + C4H9Br = (Br- bullet C4H9Br)

Quantity Value Units Method Reference Comment
Deltar65.3 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar51.88kJ/molTDAsDougherty, 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar80.8J/mol*KHPMSDougherty, 1974gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.5 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar28.0kJ/molTDAsDougherty, 1974gas phase; B

Chlorine anion + Propane, 2-bromo-2-methyl- = (Chlorine anion bullet Propane, 2-bromo-2-methyl-)

By formula: Cl- + C4H9Br = (Cl- bullet C4H9Br)

Quantity Value Units Method Reference Comment
Deltar74.1 ± 4.2kJ/molTDAsLi, Ross, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar37.2 ± 0.84kJ/molTDAsLi, Ross, et al., 1996gas phase; B

Fluorine anion + Propane, 2-bromo-2-methyl- = (Fluorine anion bullet Propane, 2-bromo-2-methyl-)

By formula: F- + C4H9Br = (F- bullet C4H9Br)

Quantity Value Units Method Reference Comment
Deltar93.3 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B
Quantity Value Units Method Reference Comment
Deltar64.0 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B

Sodium ion (1+) + Propane, 2-bromo-2-methyl- = (Sodium ion (1+) bullet Propane, 2-bromo-2-methyl-)

By formula: Na+ + C4H9Br = (Na+ bullet C4H9Br)

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
57.3298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

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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: 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-1604
NIST MS number 227729

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.


UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
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Additional Data

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Source Schmiele and Braunsweig, 1971
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19864
Instrument Zeiss PMQ II
Boiling point 73

Gas Chromatography

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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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

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Column type Active phase Temperature (C) I Reference Comment
PackedSqualane27.595.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.600.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.603.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedApiezon L130.632.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)
PackedApiezon L70.619.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-54623.Weber, 198625. m/0.31 mm/0.17 «mu»m, H2, 2. K/min; Tstart: 35. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L130.633.Arruda, Junkes, et al., 2008 

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone615.Zenkevich and Marinichev, 2001Program: not specified

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, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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.

Howlett, 1957
Howlett, K.E., The use of equilibrium constants to calculate thermodynamic quantities. Part III. Equilibria in the system tert.-butyl bromideisobutene-hydrogen bromide, J. Chem. Soc., 1957, 2834-2836. [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]

Nesterova and Rozhnov, 1974
Nesterova, T.N.; Rozhnov, A.M., Isomerization of isostructural monobromobutanes, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1974, 17, 556-558. [all data]

Holm, 1973
Holm, T., Thermochemistry of Grignard reagents. Enthalpies of formation of alkylmagnesium bromides and of alkyl bromides, J. Organomet. Chem., 1973, 56, 87-93. [all data]

Shehatta, 1993
Shehatta, I., Heat capacity at constant pressure of some halogen compounds, Thermochim. Acta, 1993, 213, 1-10. [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]

Kornblum, Smiley, et al., 1955
Kornblum, N.; Smiley, R.A.; Ungnade, H.E.; White, A.M.; Taub, B., The reaction of silver nitrite with secondary and tertiary alkyl halides, J. Am. Chem. Soc., 1955, 77, 5528-33. [all data]

Kushner, Crowe, et al., 1950
Kushner, L.M.; Crowe, R.W.; Smyth, C.P., The Heat Capacity and Dielectric Constants of Some Alkyl Halides in the Solid State, J. Am. Chem. Soc., 1950, 72, 1091. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

Timmermans, 1934
Timmermans, J., Theory of Concentrated Solutions XII., Bull. Soc. Chim. Belg., 1934, 43, 626. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav, Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data, Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I . [all data]

Wadsö, Luoma, et al., 1968
Wadsö, Ingemar; Luoma, Sinikka; Olson, Thomas; Norin, Torbjörn, Heats of Vaporization of Organic Compounds. II. Chlorides, Bromides, and Iodides., Acta Chem. Scand., 1968, 22, 2438-2444, https://doi.org/10.3891/acta.chem.scand.22-2438 . [all data]

Wadso, 1968
Wadso, I., Heats of vaporization of organic compounds II. Chlorides, bromides, and iodides, Acta Chem. Scand., 1968, 22, 2438. [all data]

Bryce-Smith and Howlett, 1951
Bryce-Smith, D.; Howlett, K.E., The preparation and properties of tert-butyl bromide, J. Chem. Soc., 1951, 1141-11. [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]

Calero, Valle, et al., 1969
Calero, G.C.; Valle, M.M.; Losa, C.G., Rev. Acad. Cienc. Fis. Quim. Nat. Zaragoza, 1969, 24, 2, 137. [all data]

Hull, Campbell, et al., 1951
Hull, R.; Campbell, Neil; Stafford, W.H.; Wilshire, J.F.K.; Briggs, Lindsay H.; Nicholls, G.A.; Johnson, A.W.; Sheppard, N.; Todd, A.R.; Ratcliffe, J.; Bryce-Smith, D.; Howlett, K.E.; Groves, L.H.; Swan, G.A., Notes, J. Chem. Soc., 1951, 1136, https://doi.org/10.1039/jr9510001136 . [all data]

Bryce-Smith and Howlett, 1951, 2
Bryce-Smith, D.; Howlett, K.E., The Preparation and Properties of tert.-Butyl Bromide, J. Chem. Soc., 1951, 1141-1142. [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]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Dougherty, 1974
Dougherty, R.C., SN2 reactions in the gas phase. Alkyl group structural effects, Org. Mass Spectrom., 1974, 8, 85. [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Kistiakowsky and Stauffer, 1937
Kistiakowsky, G.B.; Stauffer, C.H., The kinetics of gaseous addition of halogen acids to isobutene, 1937, 165-170. [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]

Hashmall and Heilbronner, 1970
Hashmall, J.A.; Heilbronner, E., n-Ionization potentials of alkyl bromides, Angew. Chem. Intern. Ed., 1970, 9, 305. [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]

Flamini, Semprini, et al., 1976
Flamini, A.; Semprini, E.; Stefani, F.; Sorriso, S.; Cardaci, G., He(I) photoelectron spectra and semiempirical molecular-orbital calculations on methylmetal halides of group 4A elements, J. Chem. Soc. Dalton Trans., 1976, 731. [all data]

McLoughlin and Traeger, 1979
McLoughlin, R.G.; Traeger, J.C., Heat of formation for tert-butyl cation in the gas phase, J. Am. Chem. Soc., 1979, 101, 5791. [all data]

Schmiele and Braunsweig, 1971
Schmiele, C.; Braunsweig, T.H., UV atlas of organic compounds, 1971, 5, I/3. [all data]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]

von Kováts, 1958
von Kováts, E., 206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone, Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703 . [all data]

Weber, 1986
Weber, L., Utilization of the Sadtler standard RI system in micropollution analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 446-451, https://doi.org/10.1002/jhrc.1240090806 . [all data]

Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F., Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds, J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121 . [all data]

Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N., Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian), Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]


Notes

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