Hydrogen cation


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 by: John E. Bartmess

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Reactions 301 to 350

C6H2Cl3- + Hydrogen cation = Benzene, 1,2,3-trichloro-

By formula: C6H2Cl3- + H+ = C6H3Cl3

Quantity Value Units Method Reference Comment
Δr374.9 ± 2.1kcal/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3-trichlorobenzene. Anion assigned based on ab initio calculations.
Quantity Value Units Method Reference Comment
Δr366.8 ± 2.0kcal/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3-trichlorobenzene. Anion assigned based on ab initio calculations.

C6H7- + Hydrogen cation = 1,3-Cyclohexadiene

By formula: C6H7- + H+ = C6H8

Quantity Value Units Method Reference Comment
Δr373.2 ± 4.1kcal/molG+TSLee and Squires, 1986gas phase; Between SiH4, tBuOH; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr365.8 ± 4.0kcal/molIMRBLee and Squires, 1986gas phase; Between SiH4, tBuOH; value altered from reference due to change in acidity scale

C4H- + Hydrogen cation = 1,3-Butadiyne

By formula: C4H- + H+ = C4H2

Quantity Value Units Method Reference Comment
Δr360.3 ± 3.2kcal/molD-EAPino, Tulej, et al., 2002gas phase
Δr360.4 ± 2.9kcal/molEndoShi and Ervin, 2000gas phase
Quantity Value Units Method Reference Comment
Δr352.1 ± 3.3kcal/molH-TSPino, Tulej, et al., 2002gas phase
Δr352.2 ± 3.0kcal/molH-TSShi and Ervin, 2000gas phase

C5H7- + Hydrogen cation = 1,3-Pentadiene, (E)-

By formula: C5H7- + H+ = C5H8

Quantity Value Units Method Reference Comment
Δr369.2 ± 1.2kcal/molD-EAZimmerman, Gygax, et al., 1978gas phase; Acid: 1,4-pentadiene. (Z)-1,3-pentadiene is 7.0 kcal/mol more stable(weaker acid)
Quantity Value Units Method Reference Comment
Δr364.4 ± 1.9kcal/molH-TSZimmerman, Gygax, et al., 1978gas phase; Acid: 1,4-pentadiene. (Z)-1,3-pentadiene is 7.0 kcal/mol more stable(weaker acid)

HS2- + Hydrogen cation = Dihydrogen disulfide

By formula: HS2- + H+ = H2S2

Quantity Value Units Method Reference Comment
Δr345.8 ± 3.6kcal/molD-EAEntfellner and Boesl, 2009gas phase
Δr346.0 ± 3.1kcal/molG+TSOhair, Depuy, et al., 1993gas phase
Quantity Value Units Method Reference Comment
Δr338.8 ± 3.7kcal/molH-TSEntfellner and Boesl, 2009gas phase
Δr339.0 ± 3.0kcal/molIMRBOhair, Depuy, et al., 1993gas phase

C8H11- + Hydrogen cation = 1,3-Cyclooctadiene

By formula: C8H11- + H+ = C8H12

Quantity Value Units Method Reference Comment
Δr376.7 ± 3.1kcal/molG+TSLee and Squires, 1986gas phase; Between EtOH, nPrOH; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr370.1 ± 3.0kcal/molIMRBLee and Squires, 1986gas phase; Between EtOH, nPrOH; value altered from reference due to change in acidity scale

C2F5- + Hydrogen cation = Ethane, pentafluoro-

By formula: C2F5- + H+ = C2HF5

Quantity Value Units Method Reference Comment
Δr374.5 ± 3.3kcal/molG+TSSullivan and Beauchamp, 1976gas phase; Between tBuOH and HF; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr366.8 ± 3.2kcal/molIMRBSullivan and Beauchamp, 1976gas phase; Between tBuOH and HF; value altered from reference due to change in acidity scale

cyclobutene-1-ide anion + Hydrogen cation = Cyclobutene

By formula: C4H5- + H+ = C4H6

Quantity Value Units Method Reference Comment
Δr404.6 ± 1.5kcal/molCIDCTian, Fattahi, et al., 2006gas phase
Δr397.1 ± 5.1kcal/molG+TSKass, Filley, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Δr396.5 ± 1.6kcal/molH-TSTian, Fattahi, et al., 2006gas phase
Δr389.0 ± 5.0kcal/molIMRBKass, Filley, et al., 1986gas phase

C4H7O- + Hydrogen cation = Butanal

By formula: C4H7O- + H+ = C4H8O

Quantity Value Units Method Reference Comment
Δr364.8 ± 2.1kcal/molD-EAAlconcel, Deyerl, et al., 2001gas phase
Δr364.1 ± 2.3kcal/molD-EAZimmerman, Reed, et al., 1977gas phase
Quantity Value Units Method Reference Comment
Δr358.2 ± 2.3kcal/molH-TSAlconcel, Deyerl, et al., 2001gas phase
Δr357.6 ± 2.5kcal/molH-TSZimmerman, Reed, et al., 1977gas phase

C4H5O- + Hydrogen cation = 2-Butenal

By formula: C4H5O- + H+ = C4H6O

Quantity Value Units Method Reference Comment
Δr354.7 ± 2.1kcal/molG+TSBartmess and Kiplinger, 1986gas phase; Acid: CH3CH=CHCHO; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr348.1 ± 2.0kcal/molIMREBartmess and Kiplinger, 1986gas phase; Acid: CH3CH=CHCHO; value altered from reference due to change in acidity scale

BF2O- + Hydrogen cation = Difluorohydroxyborane

By formula: BF2O- + H+ = HBF2O

Quantity Value Units Method Reference Comment
Δr377.5 ± 8.3kcal/molAcidLarson and McMahon, 1987gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.

C3H8B- + Hydrogen cation = Borane, trimethyl-

By formula: C3H8B- + H+ = C3H9B

Quantity Value Units Method Reference Comment
Δr366.2 ± 6.1kcal/molG+TSMurphy and Beauchamp, 1976gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr358.9 ± 6.0kcal/molIMRBMurphy and Beauchamp, 1976gas phase; Between AsH3,PH3; value altered from reference due to change in acidity scale

C9H4N3O2- + Hydrogen cation = C9H5N3O2

By formula: C9H4N3O2- + H+ = C9H5N3O2

Quantity Value Units Method Reference Comment
Δr308.7 ± 2.3kcal/molG+TSKoppel, Taft, et al., 1994gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by up to 1.3 kcal/mol.
Quantity Value Units Method Reference Comment
Δr303.0 ± 2.0kcal/molIMREKoppel, Taft, et al., 1994gas phase; Per Leito, Raamat, et al., 2009, dGacid is likely too weak by up to 1.3 kcal/mol.

C5H9O- + Hydrogen cation = 2-Butanone, 3-methyl-

By formula: C5H9O- + H+ = C5H10O

Quantity Value Units Method Reference Comment
Δr369.3 ± 2.7kcal/molG+TSChyall, Brickhouse, et al., 1994gas phase; By equilibration, more substituted site is less acidic than Me by 2.3 kcal/mol
Quantity Value Units Method Reference Comment
Δr362.8 ± 2.5kcal/molIMREChyall, Brickhouse, et al., 1994gas phase; By equilibration, more substituted site is less acidic than Me by 2.3 kcal/mol

C4H10NO- + Hydrogen cation = Diethylhydroxylamine

By formula: C4H10NO- + H+ = C4H11NO

Quantity Value Units Method Reference Comment
Δr370.6 ± 2.1kcal/molG+TSBartmess, Basso, et al., 1983gas phase; See also Mahoney, Mendenhall, et al., 1973, Bordwell and Liu, 1996 for supporting DH values
Quantity Value Units Method Reference Comment
Δr364.0 ± 2.0kcal/molIMREBartmess, Basso, et al., 1983gas phase; See also Mahoney, Mendenhall, et al., 1973, Bordwell and Liu, 1996 for supporting DH values

CH3O2Si- + Hydrogen cation = CH4O2Si

By formula: CH3O2Si- + H+ = CH4O2Si

Quantity Value Units Method Reference Comment
Δr361.4 ± 6.1kcal/molG+TSDamrauer and Krempp, 1990gas phase; Between EtCHO,(Me3Si)2NH. Value revised, based on data in Grimm and Bartmess, 1992.
Quantity Value Units Method Reference Comment
Δr354.0 ± 6.0kcal/molIMRBDamrauer and Krempp, 1990gas phase; Between EtCHO,(Me3Si)2NH. Value revised, based on data in Grimm and Bartmess, 1992.

C4H4F3O2S- + Hydrogen cation = C4H5F3O2S

By formula: C4H4F3O2S- + H+ = C4H5F3O2S

Quantity Value Units Method Reference Comment
Δr343.3 ± 2.1kcal/molG+TSTaft, 1987gas phase; Acid = CF3SO2CH2CH=CH2; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr336.2 ± 2.0kcal/molIMRETaft, 1987gas phase; Acid = CF3SO2CH2CH=CH2; value altered from reference due to change in acidity scale

C6H3Cl2- + Hydrogen cation = Benzene, 1,3-dichloro-

By formula: C6H3Cl2- + H+ = C6H4Cl2

Quantity Value Units Method Reference Comment
Δr374.0 ± 2.1kcal/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: m-dichlorobenzene. Anion assigned based on ab initio calculations.
Quantity Value Units Method Reference Comment
Δr366.3 ± 2.0kcal/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: m-dichlorobenzene. Anion assigned based on ab initio calculations.

C8H9- + Hydrogen cation = Bicyclo[3.2.1]octa-2,6-diene

By formula: C8H9- + H+ = C8H10

Quantity Value Units Method Reference Comment
Δr379.5 ± 2.1kcal/molG+TSLee and Squires, 1986gas phase; 1.4 kcal > MeOH; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr372.6 ± 2.0kcal/molIMRELee and Squires, 1986gas phase; 1.4 kcal > MeOH; value altered from reference due to change in acidity scale

CH5Ge- + Hydrogen cation = CH6Ge

By formula: CH5Ge- + H+ = CH6Ge

Quantity Value Units Method Reference Comment
Δr367.3 ± 2.1kcal/molG+TSDecouzon, Gal, et al., 1993gas phase
Δr366.7 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase
Quantity Value Units Method Reference Comment
Δr359.3 ± 2.0kcal/molIMREDecouzon, Gal, et al., 1993gas phase
Δr358.7 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase

C6H3Cl2- + Hydrogen cation = Benzene, 1,2-dichloro-

By formula: C6H3Cl2- + H+ = C6H4Cl2

Quantity Value Units Method Reference Comment
Δr377.1 ± 2.1kcal/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: o-dichlorobenzene. Anion assigned based on ab initio calculations.
Quantity Value Units Method Reference Comment
Δr368.7 ± 2.0kcal/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: o-dichlorobenzene. Anion assigned based on ab initio calculations.

C9H11- + Hydrogen cation = 1,3,5-Cycloheptatriene, 7-ethyl-

By formula: C9H11- + H+ = C9H12

Quantity Value Units Method Reference Comment
Δr370.2 ± 2.5kcal/molG+TSMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB
Quantity Value Units Method Reference Comment
Δr362.5 ± 2.0kcal/molIMREMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB

C10H13- + Hydrogen cation = C10H14

By formula: C10H13- + H+ = C10H14

Quantity Value Units Method Reference Comment
Δr369.5 ± 2.5kcal/molG+TSMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB
Quantity Value Units Method Reference Comment
Δr361.7 ± 2.0kcal/molIMREMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB

C10H13- + Hydrogen cation = C10H14

By formula: C10H13- + H+ = C10H14

Quantity Value Units Method Reference Comment
Δr369.1 ± 2.5kcal/molG+TSMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB
Quantity Value Units Method Reference Comment
Δr361.4 ± 2.0kcal/molIMREMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB

C11H15- + Hydrogen cation = C11H16

By formula: C11H15- + H+ = C11H16

Quantity Value Units Method Reference Comment
Δr368.7 ± 2.5kcal/molG+TSMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB
Quantity Value Units Method Reference Comment
Δr361.0 ± 2.0kcal/molIMREMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB

V- + Hydrogen cation = HV

By formula: V- + H+ = HV

Quantity Value Units Method Reference Comment
Δr339.7 ± 3.4kcal/molG+TSSallans, Lane, et al., 1985gas phase
Δr340.9 ± 3.7kcal/molAcidFeigerle, Corderman, et al., 1981gas phase
Quantity Value Units Method Reference Comment
Δr332.0 ± 3.0kcal/molIMRBSallans, Lane, et al., 1985gas phase
Δr333.1 ± 5.2kcal/molH-TSFeigerle, Corderman, et al., 1981gas phase

C8H9- + Hydrogen cation = 7-Methylcycloheptatriene

By formula: C8H9- + H+ = C8H10

Quantity Value Units Method Reference Comment
Δr371.0 ± 2.5kcal/molG+TSMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB
Quantity Value Units Method Reference Comment
Δr363.3 ± 2.0kcal/molIMREMishima, Kinoshita, et al., 2002gas phase; Reprotonation likely to be on C-1, giving 1-alkyl-cycloheptatriene - JEB

C2H6BO3- + Hydrogen cation = C2H7BO3

By formula: C2H6BO3- + H+ = C2H7BO3

Quantity Value Units Method Reference Comment
Δr360.2 ± 4.6kcal/molG+TSKiplinger, Crowder, et al., 1994gas phase; between tBuCH=NOH, pyrrole. Stein, Rikkers, et al. is wrong on GpAd for (MeO)2BOH
Quantity Value Units Method Reference Comment
Δr353.4 ± 4.5kcal/molIMRBKiplinger, Crowder, et al., 1994gas phase; between tBuCH=NOH, pyrrole. Stein, Rikkers, et al. is wrong on GpAd for (MeO)2BOH

C3H5- + Hydrogen cation = Propene

By formula: C3H5- + H+ = C3H6

Quantity Value Units Method Reference Comment
Δr405.8 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase
Δr>404.75 ± 0.60kcal/molG+TSFroelicher, Freiser, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Δr398.0 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase
Δr>397.00kcal/molIMRBFroelicher, Freiser, et al., 1986gas phase

C4H6NO4S- + Hydrogen cation = C4H7NO4S

By formula: C4H6NO4S- + H+ = C4H7NO4S

Quantity Value Units Method Reference Comment
Δr330.0 ± 2.1kcal/molG+TSBouchoux, Jaudon, et al., 1991gas phase; AM1 implies oximate anion (authors), may be carbanion by struct/react.-JEB
Quantity Value Units Method Reference Comment
Δr323.4 ± 2.0kcal/molIMREBouchoux, Jaudon, et al., 1991gas phase; AM1 implies oximate anion (authors), may be carbanion by struct/react.-JEB

H2NOSi- + Hydrogen cation = H3NOSi

By formula: H2NOSi- + H+ = H3NOSi

Quantity Value Units Method Reference Comment
Δr359.5 ± 4.2kcal/molG+TSHankin, Krempp, et al., 1995gas phase; Between CF3CH2OH,MeSH, but poor thresholds due to competeting reactions.
Quantity Value Units Method Reference Comment
Δr352.3 ± 4.0kcal/molIMRBHankin, Krempp, et al., 1995gas phase; Between CF3CH2OH,MeSH, but poor thresholds due to competeting reactions.

C7H19Si2- + Hydrogen cation = Silane, methylenebis[trimethyl-

By formula: C7H19Si2- + H+ = C7H20Si2

Quantity Value Units Method Reference Comment
Δr373.6 ± 2.2kcal/molG+TSRomer, Gatev, et al., 1998gas phase
Δr373.6 ± 4.0kcal/molD-EABrinkman, Berger, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Δr365.9 ± 2.0kcal/molIMRERomer, Gatev, et al., 1998gas phase
Δr365.8 ± 4.1kcal/molH-TSBrinkman, Berger, et al., 1994gas phase

C4H7O2- + Hydrogen cation = Ethyl Acetate

By formula: C4H7O2- + H+ = C4H8O2

Quantity Value Units Method Reference Comment
Δr371.7 ± 4.1kcal/molG+TSHaas, Giblin, et al., 1998gas phase; From transesterification equilibria
Δr368.9 ± 1.2kcal/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase
Quantity Value Units Method Reference Comment
Δr365.0 ± 4.0kcal/molIMREHaas, Giblin, et al., 1998gas phase; From transesterification equilibria

C3H6NO2- + Hydrogen cation = Alanine

By formula: C3H6NO2- + H+ = C3H7NO2

Quantity Value Units Method Reference Comment
Δr341.8 ± 1.9kcal/molCIDCJones, Bernier, et al., 2007gas phase
Δr340.7 ± 2.1kcal/molG+TSLocke and McIver, 1983gas phase
Quantity Value Units Method Reference Comment
Δr334.8 ± 2.0kcal/molH-TSJones, Bernier, et al., 2007gas phase
Δr333.7 ± 2.0kcal/molIMRELocke and McIver, 1983gas phase

CH4N- + Hydrogen cation = Methylamine

By formula: CH4N- + H+ = CH5N

Quantity Value Units Method Reference Comment
Δr402.0 ± 2.6kcal/molD-EARadisic, Xu, et al., 2002gas phase
Δr403.21 ± 0.82kcal/molG+TSMacKay, Hemsworth, et al., 1976gas phase
Quantity Value Units Method Reference Comment
Δr394.5 ± 2.7kcal/molH-TSRadisic, Xu, et al., 2002gas phase
Δr395.70 ± 0.70kcal/molIMREMacKay, Hemsworth, et al., 1976gas phase

C4F9O- + Hydrogen cation = 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol

By formula: C4F9O- + H+ = C4HF9O

Quantity Value Units Method Reference Comment
Δr331.6 ± 2.2kcal/molG+TSTaft, Koppel, et al., 1990gas phase
Quantity Value Units Method Reference Comment
Δr324.0 ± 2.0kcal/molIMRETaft, Koppel, et al., 1990gas phase
Δr323.2 ± 5.0kcal/molIMRBKoppel, Pikver, et al., 1981gas phase
Δr321.4 ± 5.0kcal/molIMRBClair and McMahon, 1980gas phase

C9H5N2- + Hydrogen cation = Malononitrile, phenyl-

By formula: C9H5N2- + H+ = C9H6N2

Quantity Value Units Method Reference Comment
Δr320.3 ± 2.1kcal/molG+TSKoppel, Taft, et al., 1994gas phase
Δr320.7 ± 2.1kcal/molG+TSTaft and Bordwell, 1988gas phase
Quantity Value Units Method Reference Comment
Δr314.3 ± 2.0kcal/molIMREKoppel, Taft, et al., 1994gas phase
Δr314.7 ± 2.0kcal/molIMRETaft and Bordwell, 1988gas phase

C2HO- + Hydrogen cation = Ketene

By formula: C2HO- + H+ = C2H2O

Quantity Value Units Method Reference Comment
Δr364.8 ± 2.1kcal/molG+TSOakes, Jones, et al., 1983gas phase; Acid: ketene; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr357.8 ± 2.0kcal/molIMRBOakes, Jones, et al., 1983gas phase; Acid: ketene; value altered from reference due to change in acidity scale

C5H9O2- + Hydrogen cation = Pentanoic acid

By formula: C5H9O2- + H+ = C5H10O2

Quantity Value Units Method Reference Comment
Δr346.2 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Δr346.1 ± 2.4kcal/molG+TSMcLuckey, Cameron, et al., 1981gas phase
Quantity Value Units Method Reference Comment
Δr339.2 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Δr339.1 ± 2.3kcal/molCIDCMcLuckey, Cameron, et al., 1981gas phase

C4H7- + Hydrogen cation = Cyclobutane

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr417.4 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase
Δr419.9 ± 2.0kcal/molBranPeerboom, Rademaker, et al., 1992gas phase
Quantity Value Units Method Reference Comment
Δr408.4 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase
Δr410.9 ± 2.1kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase

C5H9- + Hydrogen cation = Cyclopentane

By formula: C5H9- + H+ = C5H10

Quantity Value Units Method Reference Comment
Δr416.1 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase
Δr418.3 ± 2.0kcal/molBranPeerboom, Rademaker, et al., 1992gas phase
Quantity Value Units Method Reference Comment
Δr407.4 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase
Δr409.6 ± 2.1kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase

C4H7- + Hydrogen cation = 1-Butene

By formula: C4H7- + H+ = C4H8

Quantity Value Units Method Reference Comment
Δr412.0 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase
Δr413.2 ± 4.8kcal/molBranPeerboom, Rademaker, et al., 1992gas phase
Quantity Value Units Method Reference Comment
Δr404.0 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase
Δr405.2 ± 4.9kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase

C6H11O2- + Hydrogen cation = Hexanoic acid

By formula: C6H11O2- + H+ = C6H12O2

Quantity Value Units Method Reference Comment
Δr346.1 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Δr345.8 ± 2.4kcal/molG+TSMcLuckey, Cameron, et al., 1981gas phase
Quantity Value Units Method Reference Comment
Δr339.1 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Δr338.8 ± 2.3kcal/molCIDCMcLuckey, Cameron, et al., 1981gas phase

C2H5S- + Hydrogen cation = Dimethyl sulfide

By formula: C2H5S- + H+ = C2H6S

Quantity Value Units Method Reference Comment
Δr390.2 ± 1.5kcal/molD-EAMoran and Ellison, 1988gas phase
Δr393.2 ± 2.1kcal/molG+TSIngemann and Nibbering, 1985gas phase
Quantity Value Units Method Reference Comment
Δr383.0 ± 1.7kcal/molH-TSMoran and Ellison, 1988gas phase
Δr386.0 ± 2.0kcal/molIMREIngemann and Nibbering, 1985gas phase

C4H9- + Hydrogen cation = Isobutane

By formula: C4H9- + H+ = C4H10

Quantity Value Units Method Reference Comment
Δr412.9 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase
Δr414.7 ± 4.8kcal/molBranPeerboom, Rademaker, et al., 1992gas phase
Quantity Value Units Method Reference Comment
Δr404.3 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase
Δr406.1 ± 4.9kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase

C4H7N2O3- + Hydrogen cation = L-Asparagine

By formula: C4H7N2O3- + H+ = C4H8N2O3

Quantity Value Units Method Reference Comment
Δr331.0 ± 2.2kcal/molCIDCJones, Bernier, et al., 2007gas phase
Δr331.6 ± 3.1kcal/molG+TSO'Hair, Bowie, et al., 1992gas phase
Quantity Value Units Method Reference Comment
Δr324.2 ± 2.3kcal/molH-TSJones, Bernier, et al., 2007gas phase
Δr324.8 ± 3.0kcal/molCIDCO'Hair, Bowie, et al., 1992gas phase

C6H13N4O2- + Hydrogen cation = Arginine

By formula: C6H13N4O2- + H+ = C6H14N4O2

Quantity Value Units Method Reference Comment
Δr330.1 ± 2.2kcal/molCIDCJones, Bernier, et al., 2007gas phase
Δr331.7 ± 3.1kcal/molG+TSO'Hair, Bowie, et al., 1992gas phase
Quantity Value Units Method Reference Comment
Δr323.2 ± 2.3kcal/molH-TSJones, Bernier, et al., 2007gas phase
Δr324.9 ± 3.0kcal/molCIDCO'Hair, Bowie, et al., 1992gas phase

C6H11- + Hydrogen cation = Cyclohexane

By formula: C6H11- + H+ = C6H12

Quantity Value Units Method Reference Comment
Δr418.3 ± 2.0kcal/molBranPeerboom, Rademaker, et al., 1992gas phase
Δr406.82 ± 0.90kcal/molG+TSBohme, Lee-Ruff, et al., 1972gas phase
Quantity Value Units Method Reference Comment
Δr409.5 ± 2.2kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase
Δr>398.00kcal/molIMRBBohme, Lee-Ruff, et al., 1972gas phase

MeOCH2CO2 anion + Hydrogen cation = Acetic acid, methoxy-

By formula: C3H5O3- + H+ = C3H6O3

Quantity Value Units Method Reference Comment
Δr341.9 ± 2.1kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Δr342.6 ± 2.1kcal/molG+TSTaft and Topsom, 1987gas phase
Quantity Value Units Method Reference Comment
Δr335.3 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase
Δr336.0 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase

C5H9O- + Hydrogen cation = 2-Butanone, 3-methyl-

By formula: C5H9O- + H+ = C5H10O

Quantity Value Units Method Reference Comment
Δr367.3 ± 2.2kcal/molG+TSCumming and Kebarle, 1978gas phase; Structure assignment revised to less-substituted site: Chyall, Brickhouse, et al., 1994
Quantity Value Units Method Reference Comment
Δr360.5 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; Structure assignment revised to less-substituted site: Chyall, Brickhouse, et al., 1994

References

Go To: Top, Reaction thermochemistry data, Notes

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

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Notes

Go To: Top, Reaction thermochemistry data, References