Methyl formate
- Formula: C2H4O2
- Molecular weight: 60.0520
- IUPAC Standard InChIKey: TZIHFWKZFHZASV-UHFFFAOYSA-N
- CAS Registry Number: 107-31-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Formic acid, methyl ester; Methyl methanoate; HCOOCH3; Formiate de methyle; Methylester kyseliny mravenci; Methylformiaat; Methylformiat; Mravencan methylnaty; UN 1243; Methyl ester of formic acid; Methanoic acid methyl ester
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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- + =
By formula: C2H3O2- + H+ = C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <384.00 | kcal/mol | CIDT | Graul and Squires, 1988 | gas phase; B |
ΔrH° | <391.75 ± 0.90 | kcal/mol | G+TS | DePuy, Grabowski, et al., 1985 | gas phase; HO- + DCO2CH3 -> (M-D)-. ΔHf(MeO- + CO) = -59.7 kcal/mol; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | <384.00 | kcal/mol | IMRB | DePuy, Grabowski, et al., 1985 | gas phase; HO- + DCO2CH3 -> (M-D)-. ΔHf(MeO- + CO) = -59.7 kcal/mol; B |
C2H3O2- + =
By formula: C2H3O2- + H+ = C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 391.2 ± 4.1 | kcal/mol | G+TS | DePuy, Grabowski, et al., 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 384.1 ± 4.0 | kcal/mol | IMRB | DePuy, Grabowski, et al., 1985 | gas phase; B |
By formula: C4H10O3 + H2O = C2H4O2 + 2CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.29 ± 0.28 | kcal/mol | Cm | Hine and Klueppet, 1974 | liquid phase; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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