Formic acid

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Gas phase thermochemistry data

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

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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
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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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

Henry's Law data

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, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
8900.6100.MN/A 
5200. CN/A 
5300.5700.QN/A 
5200. CN/A 
5400. CN/A 
5500. MN/A 
890. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
3700.5700.CN/A 
13000. MN/AThe value given here was measured at a liquid phase volume mixing ratio of 1 ppmv. missing citation found that the Henry's law constant changes at higher concentrations.
7600. XN/AValue given here as quoted by missing citation.
3500.5700.CN/A 
 5700.TN/A 
3700.5700.CN/A 
5600. TN/A 
3700.5700.TN/A 
6000. XN/AValue given here as quoted by missing citation.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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 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
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
IE (evaluated)11.33 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)177.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity169.8kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.31PITraeger, 1985LBLHLM
11.329 ± 0.002SBell, Ng, et al., 1975LLK
11.16 ± 0.03PIWarneck, 1974LLK
11.314 ± 0.002PIKnowles and Nicholson, 1974LLK
11.3PEWatanabe, Yokoyama, et al., 1973LLK
11.33PEWatanabe, Yokoyama, et al., 1973, 2LLK
11.35 ± 0.03PEThomas, 1972LLK
11.16 ± 0.03PIMatthews and Warneck, 1969RDSH
11.33PEBrundle, Turner, et al., 1969RDSH
11.05 ± 0.03PIVilesov, 1960RDSH
11.05 ± 0.01PIWatanabe, 1957RDSH
11.33SPrice and Evans, 1937RDSH
11.5PEVon Niessen, Bieri, et al., 1980Vertical value; LLK
11.34PEBenoit and Harrison, 1977Vertical value; LLK
10.7PERao, 1975Vertical value; LLK
11.51PEKimura, Katsumata, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22.7 ± 0.5O+H2OEIStepanov, Perov, et al., 1988LL
CHO+12.76OHPITraeger, 1985LBLHLM
CHO+13.0 ± 0.1OHPIGolovin, Akopyan, et al., 1979LLK
CHO+12.79 ± 0.03OHPIWarneck, 1974LLK
CHO+12.79 ± 0.03OHPIMatthews and Warneck, 1969RDSH
CHO2+12.4 ± 0.1HPIGolovin, Akopyan, et al., 1979LLK
CHO2+12.26HPIAkopyan and Villem, 1976LLK
CHO2+12.29 ± 0.03HPIWarneck, 1974LLK
HO+17.97 ± 0.06HCOPIWarneck, 1974LLK
O+20.0 ± 0.5CO+H2EIStepanov, Perov, et al., 1988LL

De-protonation reactions

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

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:
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

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 81

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 by: Takehiko Shimanouchi

Symmetry:   Cs     Symmetry Number σ = 1


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

a' 1 OH str 3570  D 3570 M gas
a' 2 CH str 2943  C 2942.8 M gas
a' 3 C=O str 1770  C 1770 VS gas
a' 4 CH bend 1387  C 1387 VW gas
a' 5 OH bend 1229  C 1229 W gas
a' 6 C-O str 1105  C 1105.3 S gas
a' 7 OCO deform 625  C 625 M gas
a 8 CH bend 1033  C 1033 W gas
a 9 Torsion 638  C 638 S gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

Gas Chromatography

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

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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

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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

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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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Notes

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

Guthrie, 1974
Guthrie, J.P., Hydration of carboxamides. Evaluation of the free energy change for addition of water to acetamide and formamide derivatives, J. Am. Chem. Soc., 1974, 96, 3608-3615. [all data]

Lebedeva, 1964
Lebedeva, N.D., Heats of combustion of monocarboxylic acids, Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 1435-1437. [all data]

Konicek and Wadso, 1970
Konicek, J.; Wadso, I., Enthalpies of vaporization of organic compounds. VII. Some carboxylic acids, Acta Chem. Scand., 1970, 24, 2612-26. [all data]

Sinke, 1959
Sinke, G.C., The heat of formation of formic acid, J. Phys. Chem., 1959, 63, 2063. [all data]

Millikan R.C., 1957
Millikan R.C., Infrared spectra and vibrational assignment of monomeric formic acid, J. Chem. Phys., 1957, 27, 1305-1308. [all data]

Halford J.O., 1942
Halford J.O., Entropy of the monomeric forms of formic acid and acetic acid, J. Chem. Phys., 1942, 10, 582-584. [all data]

Waring W., 1952
Waring W., Some thermodynamic properties of formic acid, Chem. Rev., 1952, 51, 171-183. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Fukushima K., 1971
Fukushima K., Normal coordinate treatment and thermodynamic properties of the cis-trans isomers of formic acid and its deutero-analog, J. Chem. Thermodyn., 1971, 3, 553-562. [all data]

East A.L.L., 1997
East A.L.L., Ab initio statistical thermodynamical models for the computation of third-law entropies, J. Chem. Phys., 1997, 106, 6655-6674. [all data]

Green J.H.S., 1961
Green J.H.S., Thermodynamic properties of organic oxygen compounds. Part III. Formic acid, J. Chem. Soc., 1961, 2241-2242. [all data]

Gurvich, Veyts, et al., 1989
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B., Thermodynamic Properties of Individual Substances, 4th ed.; Vols. 1 and 2, Hemisphere, New York, 1989. [all data]

Chao J., 1978
Chao J., Ideal gas thermodynamic properties of methanoic and ethanoic acids, J. Phys. Chem. Ref. Data, 1978, 7, 363-377. [all data]

Stout and Fisher, 1941
Stout, J.W.; Fisher, L.H., The entropy of formic acid. The heat capacity from 15 to 300K. Heats of fusion and vaporization, J. Chem. Phys., 1941, 9, 163-168. [all data]

Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M., Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds, J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]

Gibson, Latimer, et al., 1920
Gibson, G.E.; Latimer, W.M.; Parks, G.S., Entropy changes at low temperatures. I. Formic acid and urea. A test of the third law of thermodynamics, J. Am. Chem. Soc., 1920, 42, 1533-1542. [all data]

Glagoleva and Chervov, 1936
Glagoleva, A.A.; Chervov, S.I., Investigation of the heat capacity of formic acid and its aqueous solutions, Zhur. Obshch. Khim., 1936, 6, 685-690. [all data]

Radulescu and Jula, 1934
Radulescu, D.; Jula, O., Beiträge zur Bestimmung der Abstufung der Polarität des Aminstickstoffes in den organischen Verbindungen, Z. Phys. Chem., 1934, B26, 390-393. [all data]

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Notes

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