Formic acid

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-90.49kcal/molCmGuthrie, 1974Heat of hydrolysis; ALS
Δfgas-90.58kcal/molN/ALebedeva, 1964Value computed using ΔfHliquid° value of -425.5±0.3 kj/mol from Lebedeva, 1964 and ΔvapH° value of 46.5 kj/mol from Guthrie, 1974.; DRB
Δfgas-90.6 ± 0.1kcal/molCcbLebedeva, 1964Value computed using ΔfHliquid° from Lebedeva, 1964 and ΔvapH° value of 11.1 kcal/mol from Konicek and Wadso, 1970.; DRB
Δfgas-90.42kcal/molN/ASinke, 1959Value computed using ΔfHliquid° value of -424.8±0.3 kj/mol from Sinke, 1959 and ΔvapH° value of 46.5 kj/mol from Guthrie, 1974.; DRB
Δfgas-90.5 ± 0.1kcal/molCcbSinke, 1959Value computed using ΔfHliquid° from Sinke, 1959 and ΔvapH° value of 11.1 kcal/mol from Konicek and Wadso, 1970.; DRB
Quantity Value Units Method Reference Comment
gas59.44 ± 0.10cal/mol*KN/AMillikan R.C., 1957Other third-law S(298.15 K) value is 248.11(1.26) J/mol*K [ Halford J.O., 1942, Millikan R.C., 1957]. Please also see Waring W., 1952.; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.94950.Chao J., 1986p=1 bar. Selected entropies and heat capacities are in close agreement with statistically calculated values [ Fukushima K., 1971] and value of S(298.15 K) calculated by ab initio method [ East A.L.L., 1997]. Maximum discrepancies with other statistical calculations [ Waring W., 1952, Green J.H.S., 1961, Gurvich, Veyts, et al., 1989] amount to 1.1-3.9 J/mol*K for S(T) and 3.0-5.9 J/mol*K for Cp(T). Please also see Chao J., 1978.; GT
7.992100.
8.344150.
9.042200.
10.41273.15
10.92 ± 0.02298.15
10.96300.
13.03400.
14.97500.
16.68600.
18.17700.
19.44800.
20.50900.
21.371000.
22.071100.
22.621200.
23.061300.
23.401400.
23.671500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, 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-101.60kcal/molCmGuthrie, 1974Heat of hydrolysis; ALS
Δfliquid-101.70 ± 0.07kcal/molCcbLebedeva, 1964ALS
Δfliquid-101.52 ± 0.06kcal/molCcbSinke, 1959ALS
Quantity Value Units Method Reference Comment
Δcliquid-60.67 ± 0.07kcal/molCcbLebedeva, 1964Corresponding Δfliquid = -101.70 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-60.86 ± 0.06kcal/molCcbSinke, 1959Corresponding Δfliquid = -101.51 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid31.511cal/mol*KN/AStout and Fisher, 1941Includes 2.89 J/mol*K for zero-point entropy.; DH
liquid30.69cal/mol*KN/AParks, Kelley, et al., 1929Extrapolation below 90 K, 29.7 J/mol*K. Revision of previous data.; DH
liquid34.20cal/mol*KN/AGibson, Latimer, et al., 1920Used Berthelot's value, 10125 J/mol for H fusion. Extrapolation below 70 K, no details.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
23.67298.15Stout and Fisher, 1941T = 15 to 300 K.; DH
23.45298.15Glagoleva and Chervov, 1936Temperature range: 298.15, 333.15, 353.15 K.; DH
23.90290.Radulescu and Jula, 1934DH
23.5291.5Gibson, Latimer, et al., 1920T = 71 to 292 K. Value is unsmoothed experimental datum.; DH
22.8298.von Reis, 1881T = 291 to 385 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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

Quantity Value Units Method Reference Comment
Tboil373.9 ± 0.5KAVGN/AAverage of 25 out of 30 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus281.5 ± 0.6KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple281.45KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple281.40KN/AStout and Fisher, 1941, 2Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.0233atmN/ATaylor and Bruton, 1952Uncertainty assigned by TRC = 0.000066 atm; TRC
Quantity Value Units Method Reference Comment
Tc577.KN/AAnselme and Teja, 1990Uncertainty assigned by TRC = 30. K; Tc > 577 K, which was observed with decomposition; TRC
Tc588.KN/AAmbrose and Ghiassee, 1987Uncertainty assigned by TRC = 10. K; TRC
Tc580.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap11.1kcal/molN/AMajer and Svoboda, 1985 
Δvap8.60kcal/molAStephenson and Malanowski, 1987Based on data from 283. to 384. K.; AC
Δvap11.1 ± 0.1kcal/molCKonicek and Wadso, 1970ALS
Δvap11.1 ± 0.1kcal/molCKonicek, Wadsö, et al., 1970AC
Δvap4.76kcal/molN/AStout and Fisher, 1941, 3AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.423373.8N/AMajer and Svoboda, 1985 
8.41315.EBAmbrose and Ghiassee, 1987, 2Based on data from 300. to 392. K.; AC
8.41325.N/ADreisbach and Shrader, 1949Based on data from 310. to 374. K. See also Dreisbach and Martin, 1949.; AC
7.07303.N/ACampbell and Campbell, 1934AC
4.85315.N/ACoolidge, 1930Based on data from 273. to 373. K.; AC
5.00338.N/ACoolidge, 1930Based on data from 273. to 373. K.; AC
4.88315.CCoolidge, 1930AC
5.04338.CCoolidge, 1930AC
8.80288.N/AKahlbaum, 1894Based on data from 273. to 307. K.; AC
11.4374.N/AKahlbaum, 1883Based on data from 295. to 374. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-αTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 298. to 374.
A (kcal/mol) 5.69
α 2.1043
β -1.2652
Tc (K) 580.
ReferenceMajer and Svoboda, 1985

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
273.7 to 307.41.99550515.-139.408Kahlbaum, 1894, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
14.5275.N/AStephenson and Malanowski, 1987Based on data from 268. to 281. K.; AC
14.8 ± 0.2213.TE,MECalis-Van Ginkel, Calis, et al., 1978Based on data from 203. to 218. K.; AC
14.4264.AStull, 1947Based on data from 253. to 275. K.; AC
14.5266.N/ACoolidge, 1930Based on data from 265. to 268. K. See also Jones, 1960.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
3.0301281.40Stout and Fisher, 1941DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
10.77281.40Stout and Fisher, 1941DH

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, Ion clustering data, Gas Chromatography, 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

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

Chlorine anion + Formic acid = (Chlorine anion • Formic acid)

By formula: Cl- + CH2O2 = (Cl- • CH2O2)

Quantity Value Units Method Reference Comment
Δr27.4 ± 2.0kcal/molTDAsFrench, Ikuta, et al., 1982gas phase; B,M
Δr27.7 ± 2.1kcal/molCIDTWalker and Sunderlin, 1999gas phase; B
Δr25.6 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr37.2 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1971gas phase; In serious disagreement with other's values. Source of error not obvious.; B,M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KPHPMSFrench, Ikuta, et al., 1982gas phase; M
Δr24.1cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr39.6cal/mol*KPHPMSYamdagni and Kebarle, 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr20.1 ± 2.0kcal/molTDAsFrench, Ikuta, et al., 1982gas phase; B
Δr18.4 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr25.4 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1971gas phase; In serious disagreement with other's values. Source of error not obvious.; B

HCO2 anion + Hydrogen cation = Formic acid

By formula: CHO2- + H+ = CH2O2

Quantity Value Units Method Reference Comment
Δr346.2 ± 1.2kcal/molD-EAKim, Bradforth, et al., 1995gas phase; dHacid(0K) = 344.67±0.62 kcal/mol; B
Δr345.3 ± 2.2kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Δr345.4 ± 2.2kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr345.2 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Δr340.1 ± 4.6kcal/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr339.2 ± 1.5kcal/molH-TSKim, Bradforth, et al., 1995gas phase; dHacid(0K) = 344.67±0.62 kcal/mol; B
Δr338.3 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Δr338.4 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr338.2 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B

Fluorine anion + Formic acid = (Fluorine anion • Formic acid)

By formula: F- + CH2O2 = (F- • CH2O2)

Quantity Value Units Method Reference Comment
Δr45.3 ± 2.0kcal/molIMRELarson and McMahon, 1983gas 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.; B,M
Quantity Value Units Method Reference Comment
Δr24.2cal/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
Δr38.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas 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.; B,M

CH5O+ + Formic acid = (CH5O+ • Formic acid)

By formula: CH5O+ + CH2O2 = (CH5O+ • CH2O2)

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

Quantity Value Units Method Reference Comment
Δr32.0kcal/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
Quantity Value Units Method Reference Comment
Δr27.7cal/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
Δr23.8kcal/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

Iodide + Formic acid = (Iodide • Formic acid)

By formula: I- + CH2O2 = (I- • CH2O2)

Quantity Value Units Method Reference Comment
Δr18.9 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Δr12.9 ± 2.1kcal/molCIDTWalker and Sunderlin, 1999gas phase; Authors suggest real value somewhere between this and Caldwell and Kebarle, 1984; B
Quantity Value Units Method Reference Comment
Δr20.7cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr12.7 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B

(Chlorine anion • Formic acid) + Formic acid = (Chlorine anion • 2Formic acid)

By formula: (Cl- • CH2O2) + CH2O2 = (Cl- • 2CH2O2)

Quantity Value Units Method Reference Comment
Δr11.2 ± 2.1kcal/molCIDTWalker and Sunderlin, 1999gas phase; B
Δr34.1 ± 3.1kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M
Quantity Value Units Method Reference Comment
Δr55.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

(Chlorine anion • 4Formic acid) + Formic acid = (Chlorine anion • 5Formic acid)

By formula: (Cl- • 4CH2O2) + CH2O2 = (Cl- • 5CH2O2)

Quantity Value Units Method Reference Comment
Δr10.1 ± 2.0kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M
Quantity Value Units Method Reference Comment
Δr11.5cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

(Chlorine anion • 2Formic acid) + Formic acid = (Chlorine anion • 3Formic acid)

By formula: (Cl- • 2CH2O2) + CH2O2 = (Cl- • 3CH2O2)

Quantity Value Units Method Reference Comment
Δr22.2 ± 2.7kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M
Quantity Value Units Method Reference Comment
Δr35.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

HCO2 anion + Formic acid = (HCO2 anion • Formic acid)

By formula: CHO2- + CH2O2 = (CHO2- • CH2O2)

Quantity Value Units Method Reference Comment
Δr36.8 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr39.1cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; large ΔrH, ΔrS,; cyclic structure? pyrolysis?; M
Quantity Value Units Method Reference Comment
Δr25.1 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(HCO2 anion • 4Formic acid) + Formic acid = (HCO2 anion • 5Formic acid)

By formula: (CHO2- • 4CH2O2) + CH2O2 = (CHO2- • 5CH2O2)

Quantity Value Units Method Reference Comment
Δr10.1 ± 2.0kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr12.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

(Chlorine anion • 3Formic acid) + Formic acid = (Chlorine anion • 4Formic acid)

By formula: (Cl- • 3CH2O2) + CH2O2 = (Cl- • 4CH2O2)

Quantity Value Units Method Reference Comment
Δr14.1 ± 2.2kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

(HCO2 anion • 3Formic acid) + Formic acid = (HCO2 anion • 4Formic acid)

By formula: (CHO2- • 3CH2O2) + CH2O2 = (CHO2- • 4CH2O2)

Quantity Value Units Method Reference Comment
Δr14.2 ± 2.1kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

(HCO2 anion • 2Formic acid) + Formic acid = (HCO2 anion • 3Formic acid)

By formula: (CHO2- • 2CH2O2) + CH2O2 = (CHO2- • 3CH2O2)

Quantity Value Units Method Reference Comment
Δr20.0 ± 2.6kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr30.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

(HCO2 anion • Formic acid) + Formic acid = (HCO2 anion • 2Formic acid)

By formula: (CHO2- • CH2O2) + CH2O2 = (CHO2- • 2CH2O2)

Quantity Value Units Method Reference Comment
Δr26.1 ± 3.1kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr34.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

CH6N+ + Formic acid = (CH6N+ • Formic acid)

By formula: CH6N+ + CH2O2 = (CH6N+ • CH2O2)

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

Quantity Value Units Method Reference Comment
Δr19.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

CH2NO5- + Water + Formic acid = CH4NO6-

By formula: CH2NO5- + H2O + CH2O2 = CH4NO6-

Quantity Value Units Method Reference Comment
Δr4.40 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

Bromine anion + Formic acid = CH2BrO2-

By formula: Br- + CH2O2 = CH2BrO2-

Quantity Value Units Method Reference Comment
Δr17.2 ± 1.7kcal/molCIDTWalker and Sunderlin, 1999gas phase; B

CH2IO2- + 2Formic acid = C2H4IO4-

By formula: CH2IO2- + 2CH2O2 = C2H4IO4-

Quantity Value Units Method Reference Comment
Δr10.0 ± 2.1kcal/molCIDTWalker and Sunderlin, 1999gas phase; B

NO3 anion + Formic acid = CH2NO5-

By formula: NO3- + CH2O2 = CH2NO5-

Quantity Value Units Method Reference Comment
Δr11.40 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 1998gas phase; B

CH2BrO2- + 2Formic acid = C2H4BrO4-

By formula: CH2BrO2- + 2CH2O2 = C2H4BrO4-

Quantity Value Units Method Reference Comment
Δr9.6 ± 1.7kcal/molCIDTWalker and Sunderlin, 1999gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, 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

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

Clustering reactions

Bromine anion + Formic acid = CH2BrO2-

By formula: Br- + CH2O2 = CH2BrO2-

Quantity Value Units Method Reference Comment
Δr17.2 ± 1.7kcal/molCIDTWalker and Sunderlin, 1999gas phase; B

HCO2 anion + Formic acid = (HCO2 anion • Formic acid)

By formula: CHO2- + CH2O2 = (CHO2- • CH2O2)

Quantity Value Units Method Reference Comment
Δr36.8 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr39.1cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; large ΔrH, ΔrS,; cyclic structure? pyrolysis?; M
Quantity Value Units Method Reference Comment
Δr25.1 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(HCO2 anion • Formic acid) + Formic acid = (HCO2 anion • 2Formic acid)

By formula: (CHO2- • CH2O2) + CH2O2 = (CHO2- • 2CH2O2)

Quantity Value Units Method Reference Comment
Δr26.1 ± 3.1kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr34.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

(HCO2 anion • 2Formic acid) + Formic acid = (HCO2 anion • 3Formic acid)

By formula: (CHO2- • 2CH2O2) + CH2O2 = (CHO2- • 3CH2O2)

Quantity Value Units Method Reference Comment
Δr20.0 ± 2.6kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr30.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

(HCO2 anion • 3Formic acid) + Formic acid = (HCO2 anion • 4Formic acid)

By formula: (CHO2- • 3CH2O2) + CH2O2 = (CHO2- • 4CH2O2)

Quantity Value Units Method Reference Comment
Δr14.2 ± 2.1kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

(HCO2 anion • 4Formic acid) + Formic acid = (HCO2 anion • 5Formic acid)

By formula: (CHO2- • 4CH2O2) + CH2O2 = (CHO2- • 5CH2O2)

Quantity Value Units Method Reference Comment
Δr10.1 ± 2.0kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr12.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

CH2BrO2- + 2Formic acid = C2H4BrO4-

By formula: CH2BrO2- + 2CH2O2 = C2H4BrO4-

Quantity Value Units Method Reference Comment
Δr9.6 ± 1.7kcal/molCIDTWalker and Sunderlin, 1999gas phase; B

CH2IO2- + 2Formic acid = C2H4IO4-

By formula: CH2IO2- + 2CH2O2 = C2H4IO4-

Quantity Value Units Method Reference Comment
Δr10.0 ± 2.1kcal/molCIDTWalker and Sunderlin, 1999gas phase; B

CH2NO5- + Water + Formic acid = CH4NO6-

By formula: CH2NO5- + H2O + CH2O2 = CH4NO6-

Quantity Value Units Method Reference Comment
Δr4.40 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 2000gas phase; B

CH5O+ + Formic acid = (CH5O+ • Formic acid)

By formula: CH5O+ + CH2O2 = (CH5O+ • CH2O2)

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

Quantity Value Units Method Reference Comment
Δr32.0kcal/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
Quantity Value Units Method Reference Comment
Δr27.7cal/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
Δr23.8kcal/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

CH6N+ + Formic acid = (CH6N+ • Formic acid)

By formula: CH6N+ + CH2O2 = (CH6N+ • CH2O2)

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

Quantity Value Units Method Reference Comment
Δr19.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr24.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

Chlorine anion + Formic acid = (Chlorine anion • Formic acid)

By formula: Cl- + CH2O2 = (Cl- • CH2O2)

Quantity Value Units Method Reference Comment
Δr27.4 ± 2.0kcal/molTDAsFrench, Ikuta, et al., 1982gas phase; B,M
Δr27.7 ± 2.1kcal/molCIDTWalker and Sunderlin, 1999gas phase; B
Δr25.6 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr37.2 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1971gas phase; In serious disagreement with other's values. Source of error not obvious.; B,M
Quantity Value Units Method Reference Comment
Δr24.5cal/mol*KPHPMSFrench, Ikuta, et al., 1982gas phase; M
Δr24.1cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr39.6cal/mol*KPHPMSYamdagni and Kebarle, 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr20.1 ± 2.0kcal/molTDAsFrench, Ikuta, et al., 1982gas phase; B
Δr18.4 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr25.4 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1971gas phase; In serious disagreement with other's values. Source of error not obvious.; B

(Chlorine anion • Formic acid) + Formic acid = (Chlorine anion • 2Formic acid)

By formula: (Cl- • CH2O2) + CH2O2 = (Cl- • 2CH2O2)

Quantity Value Units Method Reference Comment
Δr11.2 ± 2.1kcal/molCIDTWalker and Sunderlin, 1999gas phase; B
Δr34.1 ± 3.1kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M
Quantity Value Units Method Reference Comment
Δr55.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

(Chlorine anion • 2Formic acid) + Formic acid = (Chlorine anion • 3Formic acid)

By formula: (Cl- • 2CH2O2) + CH2O2 = (Cl- • 3CH2O2)

Quantity Value Units Method Reference Comment
Δr22.2 ± 2.7kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M
Quantity Value Units Method Reference Comment
Δr35.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

(Chlorine anion • 3Formic acid) + Formic acid = (Chlorine anion • 4Formic acid)

By formula: (Cl- • 3CH2O2) + CH2O2 = (Cl- • 4CH2O2)

Quantity Value Units Method Reference Comment
Δr14.1 ± 2.2kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

(Chlorine anion • 4Formic acid) + Formic acid = (Chlorine anion • 5Formic acid)

By formula: (Cl- • 4CH2O2) + CH2O2 = (Cl- • 5CH2O2)

Quantity Value Units Method Reference Comment
Δr10.1 ± 2.0kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas: H2. Value too bound based on French, Ikuta, et al., 1982, by Grimsrud fractionation factor ( Williamson, Knighton, et al., 1996).; B,M
Quantity Value Units Method Reference Comment
Δr11.5cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

Fluorine anion + Formic acid = (Fluorine anion • Formic acid)

By formula: F- + CH2O2 = (F- • CH2O2)

Quantity Value Units Method Reference Comment
Δr45.3 ± 2.0kcal/molIMRELarson and McMahon, 1983gas 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.; B,M
Quantity Value Units Method Reference Comment
Δr24.2cal/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
Δr38.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas 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.; B,M

Iodide + Formic acid = (Iodide • Formic acid)

By formula: I- + CH2O2 = (I- • CH2O2)

Quantity Value Units Method Reference Comment
Δr18.9 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Δr12.9 ± 2.1kcal/molCIDTWalker and Sunderlin, 1999gas phase; Authors suggest real value somewhere between this and Caldwell and Kebarle, 1984; B
Quantity Value Units Method Reference Comment
Δr20.7cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr12.7 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B

NO3 anion + Formic acid = CH2NO5-

By formula: NO3- + CH2O2 = CH2NO5-

Quantity Value Units Method Reference Comment
Δr11.40 ± 0.20kcal/molIMREViidanoja, Reiner, et al., 1998gas phase; B

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1543.Helmig, Pollock, et al., 199630. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone512.Peng, Yang, et al., 1991Program: not specified
PackedSE-30512.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1510.Mahajan, Goddik, et al., 200430. m/0.25 mm/0.5 μm, He, 40. C @ 2. min, 5. K/min, 230. C @ 10. min

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax1528.Natali N., Chinnici F., et al., 200630. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 240C(10min)
CapillaryDB-Wax1543.6Yang, Chyau, et al., 1998He; Column length: 50. m; Column diameter: 0.32 mm; Program: 50C => 2.5C/min => 150C => 1.5C/min => 210C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-1495.Castel, Fernandez, et al., 200650. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone490.Zenkevich, Korolenko, et al., 1995Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1470.Guo, Wu, et al., 200830. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryDB-Wax1470.Guo, Wu, et al., 200830. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryDB-Wax1470.Guo, Wu, et al., 200830. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryRTX-Wax1485.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillarySupelcowax-101521.Vichi, Castellote, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax1492.Sekiwa, Kubota, et al., 1997He, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C
CapillaryDB-Wax1499.Umano, Hagi, et al., 1995He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryFFAP1505.Vernin, Metzger, et al., 1988He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tend: 240. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1501.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
CapillaryCP-Wax 52CB1532.Muresan, Eillebrecht, et al., 200050. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)
CapillaryPolyethylene Glycol1533.Zenkevich, Korolenko, et al., 1995Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, 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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