Formaldehyde

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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 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-27.701kcal/molReviewChase, 1998Data last reviewed in March, 1961
Δfgas-25.95 ± 0.11kcal/molCmFletcher and Pilcher, 1970ALS
Quantity Value Units Method Reference Comment
Δcgas-136.42 ± 0.10kcal/molCmFletcher and Pilcher, 1970Corresponding Δfgas = -25.95 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-134.1kcal/molCcbWartenberg and Lerner-Steinberg, 1925Gas phase; Corresponding Δfgas = -28.3 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas,1 bar52.330cal/mol*KReviewChase, 1998Data last reviewed in March, 1961

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.94950.Thermodynamics Research Center, 1997p=1 bar. Recommended entropies and heat capacities are in good agreement with other statistically calculated values [ Thompson, 1941, Pillai M.G.K., 1961, Gurvich, Veyts, et al., 1989]. Please also see Chao J., 1980, Chao J., 1986.; GT
7.949100.
7.954150.
8.007200.
8.293273.15
8.458 ± 0.005298.15
8.470300.
9.379400.
10.45500.
11.52600.
12.50700.
13.37800.
14.14900.
14.811000.
15.381100.
15.881200.
16.311300.
16.681400.
17.011500.
17.641750.
18.092000.
18.422250.
18.672500.
18.862750.
19.023000.

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1200.1200. to 6000.
A 1.24134117.05370
B 22.283101.475740
C -10.72050-0.284677
D 1.8839100.019016
E 0.131734-3.725902
F -28.52751-40.78219
G 48.3906162.69551
H -27.70010-27.70010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1961 Data last reviewed in March, 1961

Phase change data

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

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil253.85KN/ASpence and Wild, 1935Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tfus181.KN/AAnonymous, 1958Uncertainty assigned by TRC = 4. K; TRC
Tfus181.KN/AHarries, 1901Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Ttriple155.1KN/ASpence and Wild, 1935Uncertainty assigned by TRC = 0.3 K; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.81236.AStephenson and Malanowski, 1987Based on data from 184. to 251. K.; AC
5.78236.N/ASpence and Wild, 1935, 2Based on data from 173. to 251. K. See also Stephenson and Malanowski, 1987.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
163.76 to 250.864.27605959.43-29.758Spence and Wild, 1935, 3Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.80155.Vasil'ev and Lebedev, 1998AC

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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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

CH2OH+ + Formaldehyde = (CH2OH+ • Formaldehyde)

By formula: CH3O+ + CH2O = (CH3O+ • CH2O)

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

Quantity Value Units Method Reference Comment
Δr27.7kcal/molICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Δr29.5kcal/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Δr27.7kcal/molICRLarson, Clair, et al., 1982gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Δr26.5cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Δr27.5cal/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Δr26.5cal/mol*KN/ALarson, Clair, et al., 1982gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Δr19.8kcal/molICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Δr19.8kcal/molICRLarson, Clair, et al., 1982gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M

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

By formula: Li+ + CH2O = (Li+ • CH2O)

Quantity Value Units Method Reference Comment
Δr36.0kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Δr36.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Quantity Value Units Method Reference Comment
Δr28.2kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

(CH3O- • 4294967295Formaldehyde) + Formaldehyde = CH3O-

By formula: (CH3O- • 4294967295CH2O) + CH2O = CH3O-

Quantity Value Units Method Reference Comment
Δr39.90 ± 0.51kcal/molN/ANee, Osterwalder, et al., 2006gas phase; B
Δr40.8 ± 1.1kcal/molTherOsborn, Leahy, et al., 1998gas phase; B
Δr41.8 ± 2.2kcal/molTherBartmess, Scott, et al., 1979gas phase; The acidity is 1.2 kcal/mol stronger than that from the D-EA cycle, due to the multi-compound fit for the acidity scale.; value altered from reference due to change in acidity scale; B

CHO- + Hydrogen cation = Formaldehyde

By formula: CHO- + H+ = CH2O

Quantity Value Units Method Reference Comment
Δr394.52 ± 0.23kcal/molD-EAMurray, Miller, et al., 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr386.65 ± 0.40kcal/molH-TSMurray, Miller, et al., 1986gas phase; B
Δr394.0 ± 4.5kcal/molIMRBKarpas and Klein, 1975gas phase; B

CH2N+ + Formaldehyde = (CH2N+ • Formaldehyde)

By formula: CH2N+ + CH2O = (CH2N+ • CH2O)

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

Quantity Value Units Method Reference Comment
Δr21.8kcal/molFATanaka, Mackay, et al., 1978gas phase; switching reaction(HCNH+)HCN; Meot-Ner (Mautner), 1978; M

(dimethylamino)methanol = Dimethylamine + Formaldehyde

By formula: C3H9NO = C2H7N + CH2O

Quantity Value Units Method Reference Comment
Δr30.2 ± 0.2kcal/molCmRogers and Rapiejko, 1974liquid phase; Heat of formation derived by 77PED/RYL; ALS

Methylal + Water = Formaldehyde + 2Methyl Alcohol

By formula: C3H8O2 + H2O = CH2O + 2CH4O

Quantity Value Units Method Reference Comment
Δr18.45 ± 0.12kcal/molCmBirley and Skinner, 1970liquid phase; Heat of hydrolysis; ALS

Formaldehyde + Urea, N,N-dimethyl- = Urea, 3-(hydroxymethyl)-1,1-dimethyl-

By formula: CH2O + C3H8N2O = C4H10N2O2

Quantity Value Units Method Reference Comment
Δr-4.8 ± 0.2kcal/molKinPerepelkova, Igranova, et al., 1981liquid phase; solvent: Phosphate buffer; ALS

2Dimethylamine + Formaldehyde = Methanediamine, N,N,N',N'-tetramethyl- + Water

By formula: 2C2H7N + CH2O = C5H14N2 + H2O

Quantity Value Units Method Reference Comment
Δr-45.6 ± 0.6kcal/molCmRogers and Rapiejko, 1974gas phase; ALS

(Iron ion (1+) • 2Formaldehyde) + Formaldehyde = (Iron ion (1+) • 3Formaldehyde)

By formula: (Fe+ • 2CH2O) + CH2O = (Fe+ • 3CH2O)

Quantity Value Units Method Reference Comment
Δr18.2 ± 1.0kcal/molCIDTRodgers and Armentrout, 2000RCD

(Iron ion (1+) • 3Formaldehyde) + Formaldehyde = (Iron ion (1+) • 4Formaldehyde)

By formula: (Fe+ • 3CH2O) + CH2O = (Fe+ • 4CH2O)

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.7kcal/molCIDTRodgers and Armentrout, 2000RCD

(Iron ion (1+) • Formaldehyde) + Formaldehyde = (Iron ion (1+) • 2Formaldehyde)

By formula: (Fe+ • CH2O) + CH2O = (Fe+ • 2CH2O)

Quantity Value Units Method Reference Comment
Δr39.2 ± 1.0kcal/molCIDTRodgers and Armentrout, 2000RCD

Dimethylamine + Formaldehyde = (dimethylamino)methanol

By formula: C2H7N + CH2O = C3H9NO

Quantity Value Units Method Reference Comment
Δr-30.2 ± 0.2kcal/molCmRogers and Rapiejko, 1974gas phase; ALS

Hydrogen + Carbon monoxide = Formaldehyde

By formula: H2 + CO = CH2O

Quantity Value Units Method Reference Comment
Δr-2.90kcal/molEqkNewton and Dodge, 1933gas phase; ALS

Iron ion (1+) + Formaldehyde = (Iron ion (1+) • Formaldehyde)

By formula: Fe+ + CH2O = (Fe+ • CH2O)

Quantity Value Units Method Reference Comment
Δr33.0 ± 1.7kcal/molCIDTRodgers and Armentrout, 2000RCD

Aluminum ion (1+) + Formaldehyde = (Aluminum ion (1+) • Formaldehyde)

By formula: Al+ + CH2O = (Al+ • CH2O)

Quantity Value Units Method Reference Comment
Δr27.5 ± 2.4kcal/molEqGBouchard, Brenner, et al., 1997RCD

1,3,5-Trioxane = 3Formaldehyde

By formula: C3H6O3 = 3CH2O

Quantity Value Units Method Reference Comment
Δr46.37 ± 0.60kcal/molEqkBusfield and Merigold, 1969solid phase; ALS

3Formaldehyde = 1,3,5-Trioxane

By formula: 3CH2O = C3H6O3

Quantity Value Units Method Reference Comment
Δr-33.27 ± 0.50kcal/molEqkBusfield and Merigold, 1969gas phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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 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
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
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 CH2O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.88 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)170.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity163.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Δf(+) ion225.1kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
ΔfH(+) ion,0K226.1kcal/molN/AN/A 

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
170.1 ± 0.50Bouchoux and Leblanc, 2000T = 300K; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
162.9 ± 0.2Bouchoux and Leblanc, 2000T = 300K; MM

Ionization energy determinations

IE (eV) Method Reference Comment
10.88CIOhno, Okamura, et al., 1995LL
10.8887 ± 0.0030PENiu, Shirley, et al., 1993LL
10.86PITraeger, 1985LBLHLM
10.88PEKimura, Katsumata, et al., 1981LLK
10.9PEVon Niessen, Bieri, et al., 1980LLK
10.885 ± 0.005PEHernandez, Masclet, et al., 1977LLK
10.874 ± 0.002SDrury-Lessard and Moule, 1977LLK
10.868 ± 0.005PIGuyon, Chupka, et al., 1976LLK
10.88 ± 0.02PIWarneck, 1971LLK
10.87 ± 0.01PIMentall, Gentieu, et al., 1971LLK
10.88 ± 0.02PIMatthews and Warneck, 1969RDSH
10.884PEBaker, Baker, et al., 1968RDSH
10.86 ± 0.02EIKanomata, 1961RDSH
10.90 ± 0.03PIVilesov, 1960RDSH
10.87 ± 0.01PIWatanabe, 1957RDSH
10.88 ± 0.01SPrice, 1935RDSH
10.1PERao, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+11.97HPITraeger, 1985LBLHLM
CHO+13.94 ± 0.40HEIWankenne, Caprace, et al., 1984LBLHLM
CHO+11.92 ± 0.01HPIGuyon, Chupka, et al., 1976LLK
CHO+11.89 ± 0.03HPIWarneck, 1971LLK
CHO+11.95 ± 0.06HPIMatthews and Warneck, 1969RDSH
CO+14.10 ± 0.08H2PIGuyon, Chupka, et al., 1976LLK
CO+18.7 ± 0.2?EIBrand and Reed, 1957RDSH
H+17.41 ± 0.07CHOPIWarneck, 1971LLK
H2+15.42 ± 0.06COPIWarneck, 1971LLK

De-protonation reactions

CHO- + Hydrogen cation = Formaldehyde

By formula: CHO- + H+ = CH2O

Quantity Value Units Method Reference Comment
Δr394.52 ± 0.23kcal/molD-EAMurray, Miller, et al., 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr386.65 ± 0.40kcal/molH-TSMurray, Miller, et al., 1986gas phase; B
Δr394.0 ± 4.5kcal/molIMRBKarpas and Klein, 1975gas phase; B

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

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

Aluminum ion (1+) + Formaldehyde = (Aluminum ion (1+) • Formaldehyde)

By formula: Al+ + CH2O = (Al+ • CH2O)

Quantity Value Units Method Reference Comment
Δr27.5 ± 2.4kcal/molEqGBouchard, Brenner, et al., 1997RCD

CH2N+ + Formaldehyde = (CH2N+ • Formaldehyde)

By formula: CH2N+ + CH2O = (CH2N+ • CH2O)

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

Quantity Value Units Method Reference Comment
Δr21.8kcal/molFATanaka, Mackay, et al., 1978gas phase; switching reaction(HCNH+)HCN; Meot-Ner (Mautner), 1978; M

CH2OH+ + Formaldehyde = (CH2OH+ • Formaldehyde)

By formula: CH3O+ + CH2O = (CH3O+ • CH2O)

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

Quantity Value Units Method Reference Comment
Δr27.7kcal/molICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Δr29.5kcal/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Δr27.7kcal/molICRLarson, Clair, et al., 1982gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Δr26.5cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Δr27.5cal/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Δr26.5cal/mol*KN/ALarson, Clair, et al., 1982gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Δr19.8kcal/molICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Δr19.8kcal/molICRLarson, Clair, et al., 1982gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M

(CH3O- • 4294967295Formaldehyde) + Formaldehyde = CH3O-

By formula: (CH3O- • 4294967295CH2O) + CH2O = CH3O-

Quantity Value Units Method Reference Comment
Δr39.90 ± 0.51kcal/molN/ANee, Osterwalder, et al., 2006gas phase; B
Δr40.8 ± 1.1kcal/molTherOsborn, Leahy, et al., 1998gas phase; B
Δr41.8 ± 2.2kcal/molTherBartmess, Scott, et al., 1979gas phase; The acidity is 1.2 kcal/mol stronger than that from the D-EA cycle, due to the multi-compound fit for the acidity scale.; value altered from reference due to change in acidity scale; B

Iron ion (1+) + Formaldehyde = (Iron ion (1+) • Formaldehyde)

By formula: Fe+ + CH2O = (Fe+ • CH2O)

Quantity Value Units Method Reference Comment
Δr33.0 ± 1.7kcal/molCIDTRodgers and Armentrout, 2000RCD

(Iron ion (1+) • Formaldehyde) + Formaldehyde = (Iron ion (1+) • 2Formaldehyde)

By formula: (Fe+ • CH2O) + CH2O = (Fe+ • 2CH2O)

Quantity Value Units Method Reference Comment
Δr39.2 ± 1.0kcal/molCIDTRodgers and Armentrout, 2000RCD

(Iron ion (1+) • 2Formaldehyde) + Formaldehyde = (Iron ion (1+) • 3Formaldehyde)

By formula: (Fe+ • 2CH2O) + CH2O = (Fe+ • 3CH2O)

Quantity Value Units Method Reference Comment
Δr18.2 ± 1.0kcal/molCIDTRodgers and Armentrout, 2000RCD

(Iron ion (1+) • 3Formaldehyde) + Formaldehyde = (Iron ion (1+) • 4Formaldehyde)

By formula: (Fe+ • 3CH2O) + CH2O = (Fe+ • 4CH2O)

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.7kcal/molCIDTRodgers and Armentrout, 2000RCD

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

By formula: Li+ + CH2O = (Li+ • CH2O)

Quantity Value Units Method Reference Comment
Δr36.0kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Δr36.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Quantity Value Units Method Reference Comment
Δr28.2kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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

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 H.M.B.BALLSCHMIETER NAT. FOOD RES. INST., PRETORIA, S AFRIC
NIST MS number 37883

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Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH2 s-str 2783  A 2782.5 S gas 2781.6 S liq.
a1 2 CO str 1746  A 1746.1 VS gas 1742.3 W liq.
a1 3 CH2 scis 1500  A 1500.1 S gas 1499.7 M liq.
b1 4 CH2 a-str 2843  A 2843.1 VS gas 2866 W liq.
b1 5 CH2 rock 1249  A 1249.1 S gas
b2 6 CH2 wag 1167  A 1167.3 S gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
A0~1 cm-1 uncertainty

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
PackedPorapack Q200.284.Goebel, 1982N2
PackedSE-30150.229.Haken, Nguyen, et al., 1979Celatom AW silanized; Column length: 3.7 m
PackedApiezon L160.249.Bogoslovsky, Anvaer, et al., 1978Celite 545

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101273.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-1247.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1247.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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.

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Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, References