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Methyl formate

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Gas phase thermochemistry data

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

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-336.9kJ/molN/AGladii, Starchevskii, et al., 1990Value computed using «DELTA»fHliquid° value of -365.9 kj/mol from Gladii, Starchevskii, et al., 1990 and «DELTA»vapH° value of 29.0 kj/mol from Hine and Klueppet, 1974.; DRB
Deltafgas-349.0kJ/molN/AGuthrie, 1974Value computed using «DELTA»fHliquid° value of -378.0 kj/mol from Guthrie, 1974 and «DELTA»vapH° value of 29.0 kj/mol from Hine and Klueppet, 1974.; DRB
Deltafgas-362.kJ/molCmHine and Klueppet, 1974ALS
Deltafgas-355.5kJ/molCcrHall and Baldt, 1971ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
44.06100.Chao J., 1986p=1 bar. Recommended S(T) and Cp(T) values are in close agreement with statistical values calculated by [ Vay P.-M., 1971] (discrepancies in S(T) do not exceed 1.3 J/mol*K) and value of S(298.15 K)=286.10 J/mol*K determined from high accuracy ab initio calculation [ East A.L.L., 1997].; GT
49.84150.
54.18200.
61.45273.15
64.38 ± 0.09298.15
64.61300.
77.56400.
90.29500.
101.57600.
111.26700.
119.53800.
126.61900.
132.681000.
137.891100.
142.381200.
146.241300.
149.581400.
152.481500.

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-365.9kJ/molEqkGladii, Starchevskii, et al., 1990ALS
Deltafliquid-378.0kJ/molCmGuthrie, 1974Heat of hydrolysis; ALS
Deltafliquid-391.kJ/molCmHine and Klueppet, 1974ALS
Deltafliquid-386.1kJ/molCcrHall and Baldt, 1971ALS
Quantity Value Units Method Reference Comment
Deltacliquid-972.61 ± 0.59kJ/molCcrHall and Baldt, 1971Corresponding «DELTA»fliquid = -386.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
120.57298.75Zabransky, Hynek, et al., 1987T = 293 to 299 K. Unsmoothed experimental datum.; DH
119.7298.15Fuchs, 1979DH
95.5297.Hall and Baldt, 1971DH
121.3288.Mehl, 1934DH
130.298.Berthelot and Ogier, 1881T = 286 to 302 K. Cp given as 0.516 cal/g*K.; DH

Reaction thermochemistry data

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

Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C2H3O2- + Hydrogen cation = Methyl formate

By formula: C2H3O2- + H+ = C2H4O2

Quantity Value Units Method Reference Comment
Deltar<1606.7kJ/molCIDTGraul and Squires, 1988gas phase; B
Deltar<1639.1 ± 3.8kJ/molG+TSDePuy, Grabowski, et al., 1985gas phase; HO- + DCO2CH3 -> (M-D)-. «DELTA»Hf(MeO- + CO) = -59.7 kcal/mol; B
Quantity Value Units Method Reference Comment
Deltar<1606.7kJ/molIMRBDePuy, Grabowski, et al., 1985gas phase; HO- + DCO2CH3 -> (M-D)-. «DELTA»Hf(MeO- + CO) = -59.7 kcal/mol; B

C2H3O2- + Hydrogen cation = Methyl formate

By formula: C2H3O2- + H+ = C2H4O2

Quantity Value Units Method Reference Comment
Deltar1637. ± 17.kJ/molG+TSDePuy, Grabowski, et al., 1985gas phase; B
Quantity Value Units Method Reference Comment
Deltar1607. ± 17.kJ/molIMRBDePuy, Grabowski, et al., 1985gas phase; B

Methane, trimethoxy- + Water = Methyl formate + 2Methyl Alcohol

By formula: C4H10O3 + H2O = C2H4O2 + 2CH4O

Quantity Value Units Method Reference Comment
Deltar-9.6 ± 1.2kJ/molCmHine and Klueppet, 1974liquid phase; ALS

References

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

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

Gladii, Starchevskii, et al., 1990
Gladii, S.L.; Starchevskii, M.K.; Pazderskii, Yu.A.; Moiseev, I.I., Chemical equilibrium in the methyl formate-water-methanol-formic acid system, J. Appl. Chem. USSR, 1990, 63, 106-111. [all data]

Hine and Klueppet, 1974
Hine, J.; Klueppet, A.W., Structural effects on rates and equilibria. XVIII. Thermodynamic stability of ortho esters, J. Am. Chem. Soc., 1974, 96, 2924-2929. [all data]

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]

Hall and Baldt, 1971
Hall, H.K., Jr.; Baldt, J.H., Thermochemistry of strained-ring bridgehead nitriles and esters, J. Am. Chem. Soc., 1971, 93, 140-145. [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]

Vay P.-M., 1971
Vay P.-M., Tables of thermodynamic functions for gaseous methyl formate and methyl acetate, J. Chim. Phys. Physico-Chim. Biol., 1971, 68, 1757-1758. [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]

Zabransky, Hynek, et al., 1987
Zabransky, M.; Hynek, V.; Finkeova-Hastabova, J.; Vesely, F., Heat capacities of six liquid esters as a function of temperature, Coll. Czech. Chem. Comm., 1987, 52, 251-256. [all data]

Fuchs, 1979
Fuchs, R., Heat capacities of some liquid aliphatic, alicyclic, and aromatic esters at 298.15 K, J. Chem. Thermodyn., 1979, 11, 959-961. [all data]

Mehl, 1934
Mehl, W., Die spezifische Wärme einiger flüssiger Kältemittel, Z. ges. Kalte-Ind., 1934, 41, 152-153. [all data]

Berthelot and Ogier, 1881
Berthelot, M.; Ogier, J., Recherches sur les ethers formiques, Ann. chim. et phys., 1881, 23(5), 201-209. [all data]

Graul and Squires, 1988
Graul, S.T.; Squires, R.R., On the Existence of Alkyl Carbanions in the Gas Phase, J. Am. Chem. Soc., 1988, 110, 2, 607, https://doi.org/10.1021/ja00210a054 . [all data]

DePuy, Grabowski, et al., 1985
DePuy, C.H.; Grabowski, J.J.; Bierbaum, V.M.; Ingemann, S.; Nibbering, N.M.M., Gas-phase reactions of anions with methyl formate and N,N-dimethylformamide, J. Am. Chem. Soc., 1985, 107, 1093. [all data]


Notes

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