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Ethanol

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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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
MS - José A. Martinho Simões
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.

Reactions 1 to 50

C2H7O+ + Ethanol = (C2H7O+ bullet Ethanol)

By formula: C2H7O+ + C2H6O = (C2H7O+ bullet C2H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar32.0kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Deltar32.2kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar28.5cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Deltar28.5cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar23.5kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Deltar23.7kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C2H5O- + Ethanol = (C2H5O- bullet Ethanol)

By formula: C2H5O- + C2H6O = (C2H5O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar27.6 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
Deltar28.1 ± 2.5kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar26.8cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH; Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar19.6 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Deltar19.0 ± 1.6kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Deltar20.1kcal/molICRMcIver, Scott, et al., 1973gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; Meot-Ner (Mautner), 1992; M

C2H5NaO (cr) + 0.5(Sulfuric Acid bullet 1100Water) (solution) = Ethanol (solution) + 0.5sodium sulphate (solution)

By formula: C2H5NaO (cr) + 0.5(H2O4S bullet 1100H2O) (solution) = C2H6O (solution) + 0.5Na2O4S (solution)

Quantity Value Units Method Reference Comment
Deltar-28.30 ± 0.91kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -117.3 ± 1.4 kcal/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -98.0 ± 1.0 kcal/mol and -98.90 kcal/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS

Chlorine anion + Ethanol = (Chlorine anion bullet Ethanol)

By formula: Cl- + C2H6O = (Cl- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar17.90 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar17.60 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
Deltar17.3 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar23.1cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar10.65kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
Deltar10.4 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
10.0295.ICRRiveros, 1974gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M

C2H5O- + Hydrogen cation = Ethanol

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
Deltar379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
Deltar378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
Deltar371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

C2H5O+ + Ethanol = (C2H5O+ bullet Ethanol)

By formula: C2H5O+ + C2H6O = (C2H5O+ bullet C2H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar29.5kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar21.7kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar30.5kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar28.6cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar22.0kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H9O- + Ethanol = (C4H9O- bullet Ethanol)

By formula: C4H9O- + C2H6O = (C4H9O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.6 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar17.9 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C3H7O- + Ethanol = (C3H7O- bullet Ethanol)

By formula: C3H7O- + C2H6O = (C3H7O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar27.4 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar18.7 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar31.9kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar28.2cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar23.5kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

Fluorine anion + Ethanol = (Fluorine anion bullet Ethanol)

By formula: F- + C2H6O = (F- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar32.40 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar31.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Deltar32.5 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.9cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar24.74kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar24.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

CN- + Ethanol = (CN- bullet Ethanol)

By formula: CN- + C2H6O = (CN- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar17.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Deltar17.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar24.5cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar10.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar10.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

Iodide + Ethanol = (Iodide bullet Ethanol)

By formula: I- + C2H6O = (I- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar13.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.1 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.11kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar6.4 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Deltar6.0 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

C3H9Si+ + Ethanol = (C3H9Si+ bullet Ethanol)

By formula: C3H9Si+ + C2H6O = (C3H9Si+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar42.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.3cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
27.9468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

HS- + Ethanol = (HS- bullet Ethanol)

By formula: HS- + C2H6O = (HS- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar16.30 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Deltar16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Deltar19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.60 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Deltar10.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

C3H9Sn+ + Ethanol = (C3H9Sn+ bullet Ethanol)

By formula: C3H9Sn+ + C2H6O = (C3H9Sn+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar34.8kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar32.2cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
17.9525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C5H11O- + Ethanol = (C5H11O- bullet Ethanol)

By formula: C5H11O- + C2H6O = (C5H11O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.3 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar17.6 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

(Chlorine anion bullet 2Ethanol) + Ethanol = (Chlorine anion bullet 3Ethanol)

By formula: (Cl- bullet 2C2H6O) + C2H6O = (Cl- bullet 3C2H6O)

Quantity Value Units Method Reference Comment
Deltar13.90 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.8cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.16kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar5.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet Ethanol) + Ethanol = (Chlorine anion bullet 2Ethanol)

By formula: (Cl- bullet C2H6O) + C2H6O = (Cl- bullet 2C2H6O)

Quantity Value Units Method Reference Comment
Deltar15.30 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar16.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.34kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 9Ethanol) + Ethanol = (Chlorine anion bullet 10Ethanol)

By formula: (Cl- bullet 9C2H6O) + C2H6O = (Cl- bullet 10C2H6O)

Quantity Value Units Method Reference Comment
Deltar8.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

(Chlorine anion bullet 8Ethanol) + Ethanol = (Chlorine anion bullet 9Ethanol)

By formula: (Cl- bullet 8C2H6O) + C2H6O = (Cl- bullet 9C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

CH6N+ + Ethanol = (CH6N+ bullet Ethanol)

By formula: CH6N+ + C2H6O = (CH6N+ bullet C2H6O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar21.3kcal/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.9496.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Sodium ion (1+) + Ethanol = (Sodium ion (1+) bullet Ethanol)

By formula: Na+ + C2H6O = (Na+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.3 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar24.4 ± 0.9kcal/molCIDTArmentrout and Rodgers, 2000RCD
Deltar24.4 ± 0.9kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
19.0298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD
0.00.CIDTRodgers and Armentrout, 1999RCD

(Sodium ion (1+) bullet Ethanol) + Ethanol = (Sodium ion (1+) bullet 2Ethanol)

By formula: (Na+ bullet C2H6O) + C2H6O = (Na+ bullet 2C2H6O)

Quantity Value Units Method Reference Comment
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.1 ± 1.1kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.3 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD

C2H5LiO (cr) + 0.5(Sulfuric Acid bullet 1100Water) (solution) = 0.5Li2O4S (solution) + Ethanol (solution)

By formula: C2H5LiO (cr) + 0.5(H2O4S bullet 1100H2O) (solution) = 0.5Li2O4S (solution) + C2H6O (solution)

Quantity Value Units Method Reference Comment
Deltar-27.15 ± 0.31kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on -17.5±0.3 for the enthalpy of solution of Li2SO4(cr) Blanchard, Joly, et al., 1974.; MS

C2H5KO (cr) + 0.5(Sulfuric Acid bullet 1100Water) (solution) = Ethanol (solution) + 0.5K2O4S (solution)

By formula: C2H5KO (cr) + 0.5(H2O4S bullet 1100H2O) (solution) = C2H6O (solution) + 0.5K2O4S (solution)

Quantity Value Units Method Reference Comment
Deltar-31.62 ± 0.69kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 35.1±0.1 for the enthalpy of solution of K2SO4(cr) Blanchard, Joly, et al., 1974.; MS

Bromine anion + Ethanol = C2H6BrO-

By formula: Br- + C2H6O = C2H6BrO-

Quantity Value Units Method Reference Comment
Deltar14.10 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.8 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

Hydrogen + Acetaldehyde = Ethanol

By formula: H2 + C2H4O = C2H6O

Quantity Value Units Method Reference Comment
Deltar-19.44 ± 0.34kcal/molChydWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; ALS
Deltar-16.51 ± 0.10kcal/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -16.8 ± 0.1 kcal/mol; At 355 °K; ALS

(Chlorine anion bullet 3Ethanol) + Ethanol = (Chlorine anion bullet 4Ethanol)

By formula: (Cl- bullet 3C2H6O) + C2H6O = (Cl- bullet 4C2H6O)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.5cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 4Ethanol) + Ethanol = (Chlorine anion bullet 5Ethanol)

By formula: (Cl- bullet 4C2H6O) + C2H6O = (Cl- bullet 5C2H6O)

Quantity Value Units Method Reference Comment
Deltar11.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar30.6cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 5Ethanol) + Ethanol = (Chlorine anion bullet 6Ethanol)

By formula: (Cl- bullet 5C2H6O) + C2H6O = (Cl- bullet 6C2H6O)

Quantity Value Units Method Reference Comment
Deltar11.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 6Ethanol) + Ethanol = (Chlorine anion bullet 7Ethanol)

By formula: (Cl- bullet 6C2H6O) + C2H6O = (Cl- bullet 7C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion bullet 7Ethanol) + Ethanol = (Chlorine anion bullet 8Ethanol)

By formula: (Cl- bullet 7C2H6O) + C2H6O = (Cl- bullet 8C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

MeCO2 anion + Ethanol = (MeCO2 anion bullet Ethanol)

By formula: C2H3O2- + C2H6O = (C2H3O2- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

1-Propene, 2-methyl- + Ethanol = Propane, 2-ethoxy-2-methyl-

By formula: C4H8 + C2H6O = C6H14O

Quantity Value Units Method Reference Comment
Deltar-7.65kcal/molCmSola, Pericas, et al., 1995liquid phase; ALS
Deltar-7.65kcal/molKinSola, Pericas, et al., 1995liquid phase; ALS
Deltar-14.9 ± 0.5kcal/molEqkIborra, Izquierdo, et al., 1989gas phase; GC; ALS

C2H4NO2- + Ethanol = C4H10NO3-

By formula: C2H4NO2- + C2H6O = C4H10NO3-

Quantity Value Units Method Reference Comment
Deltar17.57 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B

Iodide + 2Ethanol = C4H12IO2-

By formula: I- + 2C2H6O = C4H12IO2-

Quantity Value Units Method Reference Comment
Deltar10.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.42kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 2Ethanol = C4H12BrO2-

By formula: Br- + 2C2H6O = C4H12BrO2-

Quantity Value Units Method Reference Comment
Deltar11.50 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar5.72kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Ethanol = C6H18IO3-

By formula: I- + 3C2H6O = C6H18IO3-

Quantity Value Units Method Reference Comment
Deltar8.40 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar3.51kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 3Ethanol = C6H18BrO3-

By formula: Br- + 3C2H6O = C6H18BrO3-

Quantity Value Units Method Reference Comment
Deltar9.50 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.37kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C2H6FO- + 2Ethanol = C4H12FO2-

By formula: C2H6FO- + 2C2H6O = C4H12FO2-

Quantity Value Units Method Reference Comment
Deltar20.60 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar12.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Ethanol + Propanoic acid = Propanoic acid, ethyl ester + Water

By formula: C2H6O + C3H6O2 = C5H10O2 + H2O

Quantity Value Units Method Reference Comment
Deltar-5.40 ± 0.10kcal/molEqkEssex and Sandholzer, 1938liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -5.627 kcal/mol; ALS

C4H12FO2- + 3Ethanol = C6H18FO3-

By formula: C4H12FO2- + 3C2H6O = C6H18FO3-

Quantity Value Units Method Reference Comment
Deltar15.60 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.12kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

phenoxide anion + Ethanol = C8H11O2-

By formula: C6H5O- + C2H6O = C8H11O2-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

phenoxide anion + Ethanol = (phenoxide anion bullet Ethanol)

By formula: C6H5O- + C2H6O = (C6H5O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar19.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

4Ethanol (l) + Titanium tetrachloride (l) = titanium(4+) ethanolate (l) + 4(Hydrogen chloride bullet 51.3Water) (solution)

By formula: 4C2H6O (l) + Cl4Ti (l) = C8H20O4Ti (l) + 4(HCl bullet 51.3H2O) (solution)

Quantity Value Units Method Reference Comment
Deltar-49.1 ± 1.0kcal/molRSCBradley and Hillyer, 1966Please also see Pedley and Rylance, 1977.; MS

Fluorine anion + Ethanol = C2H5D6FO-

By formula: F- + C2H6O = C2H5D6FO-

Quantity Value Units Method Reference Comment
Deltar23.7 ± 2.0kcal/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Magnesium ion (1+) + Ethanol = (Magnesium ion (1+) bullet Ethanol)

By formula: Mg+ + C2H6O = (Mg+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar63. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

3Sodium hydroxide + Carbonochloridic acid, ethyl ester = CNa2O3 + Ethanol + sodium chloride + Water

By formula: 3HNaO + C3H5ClO2 = CNa2O3 + C2H6O + ClNa + H2O

Quantity Value Units Method Reference Comment
Deltar-77.27 ± 0.41kcal/molCmDavies, Finch, et al., 1980liquid phase; Heat of hydrolysis; ALS

Acetylimidazole diethyl acetal + Water = Ethyl Acetate + 1H-Imidazole + Ethanol

By formula: C9H16N2O2 + H2O = C4H8O2 + C3H4N2 + C2H6O

Quantity Value Units Method Reference Comment
Deltar-10.68 ± 0.16kcal/molCmGuthrie and Pike, 1987liquid phase; Heat of hydrolysis; ALS

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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Caldwell, G.; Rozeboom, M.D.; Kiplinger, J.P.; Bartmess, J.E., Anion-alcohol hydrogen bond strengths in the gas phase, J. Am. Chem. Soc., 1984, 106, 4660. [all data]

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Paul, G.J.C.; Kebarle, P., Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase, J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076 . [all data]

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McIver, R.T., Jr.; Scott, J.A.; Riveros, J.M., Effect of solvation on the intrinsic relative acidity of methanol and ethanol, J. Am. Chem. Soc., 1973, 95, 2706. [all data]

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Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]

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Bradley, D.C.; Hillyer, M.J., Trans. Faraday Soc., 1966, 62, 2367. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Wilkinson, Szulejko, et al., 1992
Wilkinson, F.E.; Szulejko, J.E.; Allison, C.E.; Mcmahon, T.B., Fourier Transform Ion Cyclotron Resonance Investigation of the Deuterium Isotope Effect on Gas Phase Ion/Molecule Hydrogen Bonding Interactions in Alcohol-Fluoride Adduct Ions, Int. J. Mass Spectrom., 1992, 117, 487-505, https://doi.org/10.1016/0168-1176(92)80110-M . [all data]

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Davies, R.H.; Finch, A.; Gardner, P.J., The standard enthalpy of formation of liquid and gaseous ethylchloroformate (C3H5O2Cl), J. Chem. Thermodyn., 1980, 12, 291-296. [all data]

Guthrie and Pike, 1987
Guthrie, J.P.; Pike, D.C., Hydration of acylimidazoles: tetrahedral intermediates in acylimidazole hydrolysis and nucleophilic attack by imidazole on esters. The question of concerted mechanisms for acyl transfers, Can. J. Chem., 1987, 65, 1951-1969. [all data]


Notes

Go To: Top, Reaction thermochemistry data, References