Acetaldehyde

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-170.7 ± 1.5kJ/molChydWiberg, Crocker, et al., 1991ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
35.5350.Thermodynamics Research Center, 19971 bar. Recommended heat capacity and entropy values are in good agreement with statistically calculated values of [ Pitzer K.S., 1949, 66LIP/WAG]. Discrepancies with results of calculation [ Della Vedova C.O., 1991] amount to 1.4 J/mol*K for S(300 K) and 3.4 J/mol*K for Cp(900 K). S(298.15 K) value calculated by high accuracy ab initio method [ East A.L.L., 1997] is in close agreement with selected one. Please also see Chao J., 1980, Chao J., 1986.; GT
40.27100.
43.26150.
46.47200.
52.80273.15
55.32 ± 0.08298.15
55.51300.
66.28400.
76.68500.
85.94600.
94.04700.
101.07800.
107.19900.
112.491000.
117.081100.
121.061200.
124.501300.
127.491400.
130.091500.
135.221750.
138.942000.
141.682250.
143.752500.
145.352750.
146.593000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
54.98298.1Chao J., 1986These ideal gas heat capacity values were obtained from the observed values of [ Coleman C.F., 1949] using the second virial coefficient data from [ Pitzer K.S., 1949].; GT
58.03322.9
62.43372.7
67.45422.4

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-196.4 ± 1.5kJ/molChydWiberg, Crocker, et al., 1991ALS
Quantity Value Units Method Reference Comment
liquid117.3J/mol*KN/ALebedev and Vasil'ev, 1988DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
89.05298.15Lebedev and Vasil'ev, 1988T = 15 to 300 K.; DH
96.21273.Connor, Elving, et al., 1947DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil294.0 ± 0.8KAVGN/AAverage of 25 out of 27 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus151. ± 3.KAVGN/AAverage of 15 values; Individual data points
Quantity Value Units Method Reference Comment
Tc466.0KN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 2. K; TRC
Tc461.KN/AHollmann, 1903Uncertainty assigned by TRC = 2. K; TRC
Tc454.7KN/AVan der Waals, 1881Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
ρc6.49mol/lN/ATeja and Anselme, 1990Uncertainty assigned by TRC = 0.1 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap26.12kJ/molN/AMajer and Svoboda, 1985 
Δvap25.7kJ/molN/AWiberg, Crocker, et al., 1991DRB
Δvap26.9kJ/molEBBull, Seregrennaja, et al., 1963Based on data from 293. to 377. K. See also Verevkin, Krasnykh, et al., 2003.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
25.76293.3N/AMajer and Svoboda, 1985 
26.0308.AStephenson and Malanowski, 1987Based on data from 293. to 377. K.; AC
27.6283.AStephenson and Malanowski, 1987Based on data from 272. to 294. K. See also Dykyj, 1970.; AC
26.3308.N/AKim and Kim, 1977Based on data from 293. to 345. K.; AC
27.0307.N/AColes and Popper, 1950Based on data from 273. to 307. K.; AC
25.7 ± 0.2294.VColeman and DeVries, 1949ALS

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
293.4 to 377.53.68639822.894-69.899Bull, Seregrennaja, et al., 1963, 2Coefficents calculated by NIST from author's data.
272.9 to 307.65.18831637.08322.317Coles and Popper, 1950Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
2.310149.78Lebedev and Vasil'ev, 1988DH
1.72242.9Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
15.43149.78Lebedev and Vasil'ev, 1988DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
15.42149.8Domalski and Hearing, 1996CAL
7.06242.9

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.716242.9liquidliquidLebedev and Vasil'ev, 1988Lambda type transition.; DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
7.35242.9liquidliquidLebedev and Vasil'ev, 1988Lambda; DH

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, Gas phase ion energetics data, Ion clustering 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

C2H3O- + Hydrogen cation = Acetaldehyde

By formula: C2H3O- + H+ = C2H4O

Quantity Value Units Method Reference Comment
Δr1533.1 ± 3.4kJ/molD-EAMead, Lykke, et al., 1984gas phase; Uncertainty: 6 millical/mol (0.26 micro-eV).Dipolebound state at ca. 14.3 cal/mol (5 cm-1); B
Δr1531. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; Acid: ethanal. The enol is 9.6 kcal/mol more acidic: Holmes and Lossing, 1982; value altered from reference due to change in acidity scale; B
Δr1533. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr1505. ± 5.0kJ/molH-TSMead, Lykke, et al., 1984gas phase; Uncertainty: 6 millical/mol (0.26 micro-eV).Dipolebound state at ca. 14.3 cal/mol (5 cm-1); B
Δr1502. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; Acid: ethanal. The enol is 9.6 kcal/mol more acidic: Holmes and Lossing, 1982; value altered from reference due to change in acidity scale; B
Δr1505. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

C2H5O+ + Acetaldehyde = (C2H5O+ • Acetaldehyde)

By formula: C2H5O+ + C2H4O = (C2H5O+ • C2H4O)

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

Quantity Value Units Method Reference Comment
Δr121.kJ/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
Δr110.J/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
Δr88.7kJ/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

C2H7O+ + Acetaldehyde = (C2H7O+ • Acetaldehyde)

By formula: C2H7O+ + C2H4O = (C2H7O+ • C2H4O)

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

Quantity Value Units Method Reference Comment
Δr131.kJ/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
Δr113.J/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
Δr97.1kJ/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

C2H5O+ + Acetaldehyde = (C2H5O+ • Acetaldehyde)

By formula: C2H5O+ + C2H4O = (C2H5O+ • C2H4O)

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

Quantity Value Units Method Reference Comment
Δr133.kJ/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; M
Quantity Value Units Method Reference Comment
Δr121.J/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; M
Quantity Value Units Method Reference Comment
Δr97.5kJ/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; M

C2H3O- + Hydrogen cation = Acetaldehyde

By formula: C2H3O- + H+ = C2H4O

Quantity Value Units Method Reference Comment
Δr1645.1 ± 4.0kJ/molD-EANimlos, Soderquist, et al., 1989gas phase; B
Δr1636. ± 8.8kJ/molG+TSDePuy, Bierbaum, et al., 1985gas phase; B
Δr1619. ± 33.kJ/molCIDTGraul and Squires, 1990gas phase; B
Δr<1598.3kJ/molCIDTGraul and Squires, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1613. ± 4.6kJ/molH-TSNimlos, Soderquist, et al., 1989gas phase; B
Δr1604. ± 8.4kJ/molIMRBDePuy, Bierbaum, et al., 1985gas phase; B
Δr<1565.9 ± 2.5kJ/molH-TSGraul and Squires, 1988gas phase; B

Chlorine anion + Acetaldehyde = (Chlorine anion • Acetaldehyde)

By formula: Cl- + C2H4O = (Cl- • C2H4O)

Quantity Value Units Method Reference Comment
Δr60.2 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9F, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Δr33. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

MeCO2 anion + Acetaldehyde = (MeCO2 anion • Acetaldehyde)

By formula: C2H3O2- + C2H4O = (C2H3O2- • C2H4O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Δr68.2 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr41. ± 8.4kJ/molTDAsMeot-ner, 1988gas phase; B

Hydrogen + Acetaldehyde = Ethanol

By formula: H2 + C2H4O = C2H6O

Quantity Value Units Method Reference Comment
Δr-81.3 ± 1.4kJ/molChydWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; ALS
Δr-69.08 ± 0.42kJ/molChydDolliver, Gresham, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -70.1 ± 0.4 kJ/mol; At 355 °K; ALS

(C2H5O- • 4294967295Acetaldehyde) + Acetaldehyde = C2H5O-

By formula: (C2H5O- • 4294967295C2H4O) + C2H4O = C2H5O-

Quantity Value Units Method Reference Comment
Δr158. ± 4.2kJ/molN/ARamond, Davico, et al., 2000gas phase; B
Δr165. ± 9.2kJ/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Nitric oxide anion + Acetaldehyde = (Nitric oxide anion • Acetaldehyde)

By formula: NO- + C2H4O = (NO- • C2H4O)

Quantity Value Units Method Reference Comment
Δr164.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Lithium ion (1+) + Acetaldehyde = (Lithium ion (1+) • Acetaldehyde)

By formula: Li+ + C2H4O = (Li+ • C2H4O)

Quantity Value Units Method Reference Comment
Δr173.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, Keesee and Castleman, 1986 from Berman and Beauchamp, 1986; Dzidic and Kebarle, 1970 interpolated; M

3Acetaldehyde = Paraldehyde

By formula: 3C2H4O = C6H12O3

Quantity Value Units Method Reference Comment
Δr-87. ± 6.kJ/molCmKrasnov, Ozherel'eva, et al., 1983liquid phase; solvent: Nonaqueous; Trimerization; ALS
Δr-98.1kJ/molEqkBusfield, Lee, et al., 1973gas phase; ALS

Magnesium ion (1+) + Acetaldehyde = (Magnesium ion (1+) • Acetaldehyde)

By formula: Mg+ + C2H4O = (Mg+ • C2H4O)

Quantity Value Units Method Reference Comment
Δr260. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Ethane, 1,1-dimethoxy- + Water = 2Methyl Alcohol + Acetaldehyde

By formula: C4H10O2 + H2O = 2CH4O + C2H4O

Quantity Value Units Method Reference Comment
Δr36.07 ± 0.063kJ/molCmWiberg, 1980liquid phase; solvent: Water; Hydrolysis; ALS

1,1-Dimethoxyethane + Water = 2Methyl Alcohol + Acetaldehyde

By formula: C4H10O2 + H2O = 2CH4O + C2H4O

Quantity Value Units Method Reference Comment
Δr35.7 ± 0.3kJ/molCmBirley and Skinner, 1970liquid phase; Heat of hydrolysis; ALS

Ethane, 1,2-dimethoxy- + Water = 2Methyl Alcohol + Acetaldehyde

By formula: C4H10O2 + H2O = 2CH4O + C2H4O

Quantity Value Units Method Reference Comment
Δr35.9 ± 0.8kJ/molEqkWiberg, Morgan, et al., 1994liquid phase; ALS

2Methyl Alcohol + Acetaldehyde = Ethane, 1,2-dimethoxy- + Water

By formula: 2CH4O + C2H4O = C4H10O2 + H2O

Quantity Value Units Method Reference Comment
Δr-62. ± 1.kJ/molCmWiberg, Morgan, et al., 1994gas phase; ALS

Acetaldehyde + Iodine = Hydrogen iodide + Acetyl iodide

By formula: C2H4O + I2 = HI + C2H3IO

Quantity Value Units Method Reference Comment
Δr3. ± 2.kJ/molEqkWalsh and Benson, 1966gas phase; ALS

Water + Acetaldehyde, phenylhydrazone = Hydrazine, phenyl- + Acetaldehyde

By formula: H2O + C8H10N2 = C6H8N2 + C2H4O

Quantity Value Units Method Reference Comment
Δr-61.1kJ/molCmLandrieu, 1905solid phase; ALS

Paraldehyde = 3Acetaldehyde

By formula: C6H12O3 = 3C2H4O

Quantity Value Units Method Reference Comment
Δr98.1kJ/molEqkBusfield, Lee, et al., 1973gas phase; At 292-313 K; ALS

Sodium ion (1+) + Acetaldehyde = (Sodium ion (1+) • Acetaldehyde)

By formula: Na+ + C2H4O = (Na+ • C2H4O)

Quantity Value Units Method Reference Comment
Δr113. ± 3.kJ/molCIDTArmentrout and Rodgers, 2000RCD

Silver ion (1+) + Acetaldehyde = (Silver ion (1+) • Acetaldehyde)

By formula: Ag+ + C2H4O = (Ag+ • C2H4O)

Quantity Value Units Method Reference Comment
Δr182. ± 19.kJ/molRAKHo, Yang, et al., 1997RCD

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C2H4O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.229 ± 0.0007eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)768.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity736.5kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.00035EFDDesfrancois, Abdoul-Carime, et al., 1994EA: 0.36 meV. Dipole-bound state.; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.22PITraeger, 1985LBLHLM
10.22PITraeger, McLouglin, et al., 1982LBLHLM
10.14 ± 0.02EIEl-Sherbini, Allam, et al., 1981LLK
10.22PIJochims, Lohr, et al., 1978LLK
10.20PIStaley, Wieting, et al., 1977LLK
10.227 ± 0.005PEHernandez, Masclet, et al., 1977LLK
10.23EIHolmes, Terlouw, et al., 1976LLK
10.20PEMeeks, Arnett, et al., 1975LLK
10.20PEMcGlynn and Meeks, 1975LLK
10.20 ± 0.02PIWarneck, 1974LLK
10.21PETam, Yee, et al., 1974LLK
10.19SOgata, Kitayama, et al., 1974LLK
10.22 ± 0.01PIKrassig, Reinke, et al., 1974LLK
10.2298 ± 0.0007PIKnowles and Nicholson, 1974LLK
10.24 ± 0.02PEChadwick and Katrib, 1974LLK
10.22 ± 0.01PIPotapov and Sorokin, 1972LLK
10.22 ± 0.01PECocksey, Eland, et al., 1971LLK
10.20 ± 0.02PIMatthews and Warneck, 1969RDSH
10.20PEDewar and Worley, 1969RDSH
10.22 ± 0.01PIPotapov, Filyugina, et al., 1968RDSH
10.20 ± 0.03PIVilesov, 1960RDSH
10.25 ± 0.03PIHurzeler, Inghram, et al., 1958RDSH
10.21 ± 0.01PIWatanabe, 1957RDSH
10.20 ± 0.03PIVilesov and Terenin, 1957RDSH
10.2291 ± 0.0007SWalsh, 1946RDSH
10.24PIPECOJohnson, Powis, et al., 1982Vertical value; LBLHLM
10.3PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
10.23PEBenoit and Harrison, 1977Vertical value; LLK
10.9PERao, 1975Vertical value; LLK
10.26PEKimura, Katsumata, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+11.78CH3PITraeger, 1985LBLHLM
CHO+11.79 ± 0.03CH3PIWarneck, 1974LLK
CHO+11.79 ± 0.03CH3PIMatthews and Warneck, 1969RDSH
CH2+15.08 ± 0.09?PIKrassig, Reinke, et al., 1974LLK
CH3+13.9 ± 0.1CHOPIPECOBombach, Stadelmann, et al., 1981LLK
CH3+14.08CO+HPIJochims, Lohr, et al., 1978LLK
CH3+14.11 ± 0.05CO+HPIWarneck, 1974LLK
CH3+14.08 ± 0.05CO+HPIKrassig, Reinke, et al., 1974LLK
CH3+14.53CHO?EIHaney and Franklin, 1969RDSH
CH4+12.61COPIJochims, Lohr, et al., 1978LLK
CH4+12.61 ± 0.06COPIKrassig, Reinke, et al., 1974LLK
CO+14.0 ± 0.1CH4EIShigorin, Filyugina, et al., 1966RDSH
CO+13.9 ± 0.1CH4EIDorman, 1965RDSH
C2H2O+13.06 ± 0.09H2?PIKrassig, Reinke, et al., 1974LLK
C2H2O+10.7 ± 0.1H2EIShigorin, Filyugina, et al., 1966RDSH
C2H3+14.17 ± 0.13OHPIKrassig, Reinke, et al., 1974LLK
C2H3O+10.67HPITraeger, McLouglin, et al., 1982LBLHLM
C2H3O+11.0 ± 0.1HEIBurgers and Holmes, 1982LBLHLM
C2H3O+10.50 ± 0.05HPIPECOBombach, Stadelmann, et al., 1981LLK
C2H3O+10.90HPIJochims, Lohr, et al., 1978LLK
C2H3O+10.82HPIStaley, Wieting, et al., 1977LLK
C2H3O+10.82 ± 0.03HPIWarneck, 1974LLK
C2H3O+10.90 ± 0.03HPIKrassig, Reinke, et al., 1974LLK
C2H3O+10.89 ± 0.03HPIPotapov and Sorokin, 1972LLK
C2H3O+10.89HPIPotapov, Filyugina, et al., 1968RDSH
C2H3O+10.75 ± 0.08HEIShigorin, Filyugina, et al., 1966RDSH
C2H3O+10.5 ± 0.2HEIDorman, 1965RDSH

De-protonation reactions

C2H3O- + Hydrogen cation = Acetaldehyde

By formula: C2H3O- + H+ = C2H4O

Quantity Value Units Method Reference Comment
Δr1533.1 ± 3.4kJ/molD-EAMead, Lykke, et al., 1984gas phase; Uncertainty: 6 millical/mol (0.26 micro-eV).Dipolebound state at ca. 14.3 cal/mol (5 cm-1); B
Δr1531. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; Acid: ethanal. The enol is 9.6 kcal/mol more acidic: Holmes and Lossing, 1982; value altered from reference due to change in acidity scale; B
Δr1533. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Δr1505. ± 5.0kJ/molH-TSMead, Lykke, et al., 1984gas phase; Uncertainty: 6 millical/mol (0.26 micro-eV).Dipolebound state at ca. 14.3 cal/mol (5 cm-1); B
Δr1502. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; Acid: ethanal. The enol is 9.6 kcal/mol more acidic: Holmes and Lossing, 1982; value altered from reference due to change in acidity scale; B
Δr1505. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

C2H3O- + Hydrogen cation = Acetaldehyde

By formula: C2H3O- + H+ = C2H4O

Quantity Value Units Method Reference Comment
Δr1645.1 ± 4.0kJ/molD-EANimlos, Soderquist, et al., 1989gas phase; B
Δr1636. ± 8.8kJ/molG+TSDePuy, Bierbaum, et al., 1985gas phase; B
Δr1619. ± 33.kJ/molCIDTGraul and Squires, 1990gas phase; B
Δr<1598.3kJ/molCIDTGraul and Squires, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1613. ± 4.6kJ/molH-TSNimlos, Soderquist, et al., 1989gas phase; B
Δr1604. ± 8.4kJ/molIMRBDePuy, Bierbaum, et al., 1985gas phase; B
Δr<1565.9 ± 2.5kJ/molH-TSGraul and Squires, 1988gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 as indicated in comments:
RCD - Robert C. Dunbar
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

Silver ion (1+) + Acetaldehyde = (Silver ion (1+) • Acetaldehyde)

By formula: Ag+ + C2H4O = (Ag+ • C2H4O)

Quantity Value Units Method Reference Comment
Δr182. ± 19.kJ/molRAKHo, Yang, et al., 1997RCD

MeCO2 anion + Acetaldehyde = (MeCO2 anion • Acetaldehyde)

By formula: C2H3O2- + C2H4O = (C2H3O2- • C2H4O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Δr68.2 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr41. ± 8.4kJ/molTDAsMeot-ner, 1988gas phase; B

C2H5O+ + Acetaldehyde = (C2H5O+ • Acetaldehyde)

By formula: C2H5O+ + C2H4O = (C2H5O+ • C2H4O)

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

Quantity Value Units Method Reference Comment
Δr133.kJ/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; M
Quantity Value Units Method Reference Comment
Δr121.J/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; M
Quantity Value Units Method Reference Comment
Δr97.5kJ/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; M

C2H5O+ + Acetaldehyde = (C2H5O+ • Acetaldehyde)

By formula: C2H5O+ + C2H4O = (C2H5O+ • C2H4O)

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

Quantity Value Units Method Reference Comment
Δr121.kJ/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
Δr110.J/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
Δr88.7kJ/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

(C2H5O- • 4294967295Acetaldehyde) + Acetaldehyde = C2H5O-

By formula: (C2H5O- • 4294967295C2H4O) + C2H4O = C2H5O-

Quantity Value Units Method Reference Comment
Δr158. ± 4.2kJ/molN/ARamond, Davico, et al., 2000gas phase; B
Δr165. ± 9.2kJ/molTherBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

C2H7O+ + Acetaldehyde = (C2H7O+ • Acetaldehyde)

By formula: C2H7O+ + C2H4O = (C2H7O+ • C2H4O)

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

Quantity Value Units Method Reference Comment
Δr131.kJ/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
Δr113.J/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
Δr97.1kJ/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

Chlorine anion + Acetaldehyde = (Chlorine anion • Acetaldehyde)

By formula: Cl- + C2H4O = (Cl- • C2H4O)

Quantity Value Units Method Reference Comment
Δr60.2 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9F, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Δr33. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

Lithium ion (1+) + Acetaldehyde = (Lithium ion (1+) • Acetaldehyde)

By formula: Li+ + C2H4O = (Li+ • C2H4O)

Quantity Value Units Method Reference Comment
Δr173.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, Keesee and Castleman, 1986 from Berman and Beauchamp, 1986; Dzidic and Kebarle, 1970 interpolated; M

Magnesium ion (1+) + Acetaldehyde = (Magnesium ion (1+) • Acetaldehyde)

By formula: Mg+ + C2H4O = (Mg+ • C2H4O)

Quantity Value Units Method Reference Comment
Δr260. ± 20.kJ/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Nitric oxide anion + Acetaldehyde = (Nitric oxide anion • Acetaldehyde)

By formula: NO- + C2H4O = (NO- • C2H4O)

Quantity Value Units Method Reference Comment
Δr164.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Sodium ion (1+) + Acetaldehyde = (Sodium ion (1+) • Acetaldehyde)

By formula: Na+ + C2H4O = (Na+ • C2H4O)

Quantity Value Units Method Reference Comment
Δr113. ± 3.kJ/molCIDTArmentrout and Rodgers, 2000RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compiled by: Coblentz Society, Inc.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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

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