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Formic acid

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 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
Deltafgas-378.6kJ/molCmGuthrie, 1974Heat of hydrolysis; ALS
Deltafgas-379.0kJ/molN/ALebedeva, 1964Value computed using «DELTA»fHliquid° value of -425.5±0.3 kj/mol from Lebedeva, 1964 and «DELTA»vapH° value of 46.5 kj/mol from Guthrie, 1974.; DRB
Deltafgas-379.2 ± 0.6kJ/molCcbLebedeva, 1964Value computed using «DELTA»fHliquid° from Lebedeva, 1964 and «DELTA»vapH° value of 46.3 kJ/mol from Konicek and Wadso, 1970.; DRB
Deltafgas-378.3kJ/molN/ASinke, 1959Value computed using «DELTA»fHliquid° value of -424.8±0.3 kj/mol from Sinke, 1959 and «DELTA»vapH° value of 46.5 kj/mol from Guthrie, 1974.; DRB
Deltafgas-378.5 ± 0.6kJ/molCcbSinke, 1959Value computed using «DELTA»fHliquid° from Sinke, 1959 and «DELTA»vapH° value of 46.3 kJ/mol from Konicek and Wadso, 1970.; DRB
Quantity Value Units Method Reference Comment
gas248.70 ± 0.42J/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 (J/mol*K) Temperature (K) Reference Comment
33.2650.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
33.44100.
34.91150.
37.83200.
43.54273.15
45.68 ± 0.07298.15
45.84300.
54.52400.
62.63500.
69.81600.
76.04700.
81.34800.
85.77900.
89.401000.
92.331100.
94.651200.
96.481300.
97.911400.
99.021500.

Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-425.09kJ/molCmGuthrie, 1974Heat of hydrolysis; ALS
Deltafliquid-425.5 ± 0.3kJ/molCcbLebedeva, 1964ALS
Deltafliquid-424.8 ± 0.3kJ/molCcbSinke, 1959ALS
Quantity Value Units Method Reference Comment
Deltacliquid-253.8 ± 0.3kJ/molCcbLebedeva, 1964Corresponding «DELTA»fliquid = -425.51 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-254.6 ± 0.3kJ/molCcbSinke, 1959Corresponding «DELTA»fliquid = -424.72 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid131.84J/mol*KN/AStout and Fisher, 1941Includes 2.89 J/mol*K for zero-point entropy.; DH
liquid128.4J/mol*KN/AParks, Kelley, et al., 1929Extrapolation below 90 K, 29.7 J/mol*K. Revision of previous data.; DH
liquid143.1J/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 (J/mol*K) Temperature (K) Reference Comment
99.04298.15Stout and Fisher, 1941T = 15 to 300 K.; DH
98.10298.15Glagoleva and Chervov, 1936Temperature range: 298.15, 333.15, 353.15 K.; DH
100.0290.Radulescu and Jula, 1934DH
98.3291.5Gibson, Latimer, et al., 1920T = 71 to 292 K. Value is unsmoothed experimental datum.; DH
95.4298.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
Ptriple0.0236barN/ATaylor and Bruton, 1952Uncertainty assigned by TRC = 0.000067 bar; 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
Deltavap46.3kJ/molN/AMajer and Svoboda, 1985 
Deltavap36.0kJ/molAStephenson and Malanowski, 1987Based on data from 283. - 384. K.; AC
Deltavap46.3 ± 0.5kJ/molCKonicek and Wadso, 1970ALS
Deltavap46.3 ± 0.5kJ/molCKonicek, Wadsö, et al., 1970AC
Deltavap19.9kJ/molN/AStout and Fisher, 1941, 3AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
22.69373.8N/AMajer and Svoboda, 1985 
35.2315.EBAmbrose and Ghiassee, 1987, 2Based on data from 300. - 392. K.; AC
35.2325.N/ADreisbach and Shrader, 1949Based on data from 310. - 374. K. See also Dreisbach and Martin, 1949.; AC
29.6303.N/ACampbell and Campbell, 1934AC
20.3315.N/ACoolidge, 1930Based on data from 273. - 373. K.; AC
20.9338.N/ACoolidge, 1930Based on data from 273. - 373. K.; AC
20.4315.CCoolidge, 1930AC
21.1338.CCoolidge, 1930AC
36.8288.N/AKahlbaum, 1894Based on data from 273. - 307. K.; AC
47.7374.N/AKahlbaum, 1883Based on data from 295. - 374. K.; AC

Enthalpy of vaporization

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

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Temperature (K) 298. - 374.
A (kJ/mol) 23.8
alpha 2.1043
beta -1.2652
Tc (K) 580.
ReferenceMajer and Svoboda, 1985

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
273.7 - 307.42.00121515.-139.408Kahlbaum, 1894, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
60.5275.N/AStephenson and Malanowski, 1987Based on data from 268. - 281. K.; AC
62. ± 1.213.TE,MECalis-Van Ginkel, Calis, et al., 1978Based on data from 203. - 218. K.; AC
60.1264.AStull, 1947Based on data from 253. - 275. K.; AC
60.7266.N/ACoolidge, 1930Based on data from 265. - 268. K. See also Jones, 1960.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
12.678281.40Stout and Fisher, 1941DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
45.05281.40Stout 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, 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 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 bullet Formic acid)

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

Quantity Value Units Method Reference Comment
Deltar115. ± 8.4kJ/molTDAsFrench, Ikuta, et al., 1982gas phase; B,M
Deltar116. ± 8.8kJ/molCIDTWalker and Sunderlin, 1999gas phase; B
Deltar107. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Deltar156. ± 8.4kJ/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
Deltar103.J/mol*KPHPMSFrench, Ikuta, et al., 1982gas phase; M
Deltar101.J/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Deltar166.J/mol*KPHPMSYamdagni and Kebarle, 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar84.1 ± 8.4kJ/molTDAsFrench, Ikuta, et al., 1982gas phase; B
Deltar77.0 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Deltar106. ± 8.4kJ/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
Deltar1449. ± 5.0kJ/molD-EAKim, Bradforth, et al., 1995gas phase; dHacid(0K) = 344.67±0.62 kcal/mol; B
Deltar1445. ± 9.2kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Deltar1445. ± 9.2kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1444. ± 12.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Deltar1423. ± 19.kJ/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar1419. ± 6.3kJ/molH-TSKim, Bradforth, et al., 1995gas phase; dHacid(0K) = 344.67±0.62 kcal/mol; B
Deltar1415. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Deltar1416. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1415. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

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

By formula: F- + CH2O2 = (F- bullet CH2O2)

Quantity Value Units Method Reference Comment
Deltar190. ± 8.4kJ/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
Deltar101.J/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
Deltar159. ± 8.4kJ/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+ bullet Formic acid)

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

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

Quantity Value Units Method Reference Comment
Deltar134.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar116.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar99.6kJ/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 bullet Formic acid)

By formula: I- + CH2O2 = (I- bullet CH2O2)

Quantity Value Units Method Reference Comment
Deltar79.1 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Deltar54.0 ± 8.8kJ/molCIDTWalker and Sunderlin, 1999gas phase; Authors suggest real value somewhere between this and Caldwell and Kebarle, 1984; B
Quantity Value Units Method Reference Comment
Deltar86.6J/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar53.1 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar46.9 ± 8.8kJ/molCIDTWalker and Sunderlin, 1999gas phase; B
Deltar143. ± 13.kJ/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
Deltar230.J/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Deltar42.3 ± 8.4kJ/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
Deltar48.1J/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Deltar93. ± 11.kJ/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
Deltar150.J/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Deltar154. ± 4.2kJ/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar164.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; large «DELTA»rH, «DELTA»rS,; cyclic structure? pyrolysis?; M
Quantity Value Units Method Reference Comment
Deltar105. ± 6.7kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar42.3 ± 8.4kJ/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
Deltar50.J/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Deltar59.0 ± 9.2kJ/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
Deltar84.J/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar59.4 ± 8.8kJ/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
Deltar90.0J/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar84. ± 11.kJ/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
Deltar130.J/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar109. ± 13.kJ/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
Deltar140.J/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

CH6N+ + Formic acid = (CH6N+ bullet Formic acid)

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

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

Quantity Value Units Method Reference Comment
Deltar79.5kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar101.J/mol*KPHPMSMeot-Ner, 1984gas phase; M

CH2NO5- + Water + Formic acid = CH4NO6-

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

Quantity Value Units Method Reference Comment
Deltar18.4 ± 0.84kJ/molIMREViidanoja, Reiner, et al., 2000gas phase; B

Bromine anion + Formic acid = CH2BrO2-

By formula: Br- + CH2O2 = CH2BrO2-

Quantity Value Units Method Reference Comment
Deltar72.0 ± 7.1kJ/molCIDTWalker and Sunderlin, 1999gas phase; B

CH2IO2- + 2Formic acid = C2H4IO4-

By formula: CH2IO2- + 2CH2O2 = C2H4IO4-

Quantity Value Units Method Reference Comment
Deltar41.8 ± 8.8kJ/molCIDTWalker and Sunderlin, 1999gas phase; B

NO3 anion + Formic acid = CH2NO5-

By formula: NO3- + CH2O2 = CH2NO5-

Quantity Value Units Method Reference Comment
Deltar47.70 ± 0.84kJ/molIMREViidanoja, Reiner, et al., 1998gas phase; B

CH2BrO2- + 2Formic acid = C2H4BrO4-

By formula: CH2BrO2- + 2CH2O2 = C2H4BrO4-

Quantity Value Units Method Reference Comment
Deltar40. ± 7.1kJ/molCIDTWalker and Sunderlin, 1999gas phase; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

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, IR Spectrum, 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

Spectrum

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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.
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, IR Spectrum, Mass spectrum (electron ionization), 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 sigma = 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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
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Notes

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