Formic acid

Formula: CH₂O₂
Molecular weight: 46.0254
IUPAC Standard InChI: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
IUPAC Standard InChIKey: BDAGIHXWWSANSR-UHFFFAOYSA-N
CAS Registry Number: 64-18-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Methanoic acid; Aminic acid; Bilorin; Collo-Bueglatt; Collo-Didax; Formisoton; Formylic acid; Hydrogen carboxylic acid; Myrmicyl; HCOOH; Acide formique; Acido formico; Ameisensaeure; Kwas metaniowy; Kyselina mravenci; Mierenzuur; Rcra waste number U123; UN 1779; Formira; Add-F; Amasil
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Gas phase thermochemistry data

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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
Δ_fH°_gas	-90.49	kcal/mol	Cm	Guthrie, 1974	Heat of hydrolysis; ALS
Δ_fH°_gas	-90.58	kcal/mol	N/A	Lebedeva, 1964	Value computed using Δ_fH_liquid° value of -425.5±0.3 kj/mol from Lebedeva, 1964 and Δ_vapH° value of 46.5 kj/mol from Guthrie, 1974.; DRB
Δ_fH°_gas	-90.6 ± 0.1	kcal/mol	Ccb	Lebedeva, 1964	Value computed using Δ_fH_liquid° from Lebedeva, 1964 and Δ_vapH° value of 11.1 kcal/mol from Konicek and Wadso, 1970.; DRB
Δ_fH°_gas	-90.42	kcal/mol	N/A	Sinke, 1959	Value computed using Δ_fH_liquid° value of -424.8±0.3 kj/mol from Sinke, 1959 and Δ_vapH° value of 46.5 kj/mol from Guthrie, 1974.; DRB
Δ_fH°_gas	-90.5 ± 0.1	kcal/mol	Ccb	Sinke, 1959	Value computed using Δ_fH_liquid° from Sinke, 1959 and Δ_vapH° value of 11.1 kcal/mol from Konicek and Wadso, 1970.; DRB
Quantity	Value	Units	Method	Reference	Comment
S°_gas	59.44 ± 0.10	cal/mol*K	N/A	Millikan R.C., 1957	Other 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

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
7.949	50.	Chao J., 1986	p=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/molK for S(T) and 3.0-5.9 J/molK for Cp(T). Please also see Chao J., 1978.; GT
7.992	100.
8.344	150.
9.042	200.
10.41	273.15
10.92 ± 0.02	298.15
10.96	300.
13.03	400.
14.97	500.
16.68	600.
18.17	700.
19.44	800.
20.50	900.
21.37	1000.
22.07	1100.
22.62	1200.
23.06	1300.
23.40	1400.
23.67	1500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, References, Notes

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
Δ_fH°_liquid	-101.60	kcal/mol	Cm	Guthrie, 1974	Heat of hydrolysis; ALS
Δ_fH°_liquid	-101.70 ± 0.07	kcal/mol	Ccb	Lebedeva, 1964	ALS
Δ_fH°_liquid	-101.52 ± 0.06	kcal/mol	Ccb	Sinke, 1959	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-60.67 ± 0.07	kcal/mol	Ccb	Lebedeva, 1964	Corresponding Δ_fHº_liquid = -101.70 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-60.86 ± 0.06	kcal/mol	Ccb	Sinke, 1959	Corresponding Δ_fHº_liquid = -101.51 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	31.511	cal/mol*K	N/A	Stout and Fisher, 1941	Includes 2.89 J/mol*K for zero-point entropy.; DH
S°_liquid	30.69	cal/mol*K	N/A	Parks, Kelley, et al., 1929	Extrapolation below 90 K, 29.7 J/mol*K. Revision of previous data.; DH
S°_liquid	34.20	cal/mol*K	N/A	Gibson, Latimer, et al., 1920	Used Berthelot's value, 10125 J/mol for H fusion. Extrapolation below 70 K, no details.; DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
23.67	298.15	Stout and Fisher, 1941	T = 15 to 300 K.; DH
23.45	298.15	Glagoleva and Chervov, 1936	Temperature range: 298.15, 333.15, 353.15 K.; DH
23.90	290.	Radulescu and Jula, 1934	DH
23.5	291.5	Gibson, Latimer, et al., 1920	T = 71 to 292 K. Value is unsmoothed experimental datum.; DH
22.8	298.	von Reis, 1881	T = 291 to 385 K.; DH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes

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]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References

Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
S°_gas	Entropy of gas at standard conditions
S°_liquid	Entropy of liquid at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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