Acetic acid, methyl ester
- Formula: C3H6O2
- Molecular weight: 74.0785
- IUPAC Standard InChIKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
- CAS Registry Number: 79-20-9
- 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: Methyl acetate; Devoton; Tereton; CH3COOCH3; Methyl ethanoate; Acetate de methyle; Methyl acetic ester; Methylacetaat; Methylacetat; Methyle (acetate de); Methylester kiseliny octove; Metile (acetato di); Ethyl ester of monoacetic acid; UN 1231; Methyl ester of acetic acid; NSC 405071
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -98.00 | kcal/mol | Ccr | Hall and Baldt, 1971 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.33 | 100. | Chao J., 1986 | p=1 bar. Recommended Cp(T) values are in close agreement with those calculated by [ Vay P.-M., 1971]. S(T) values calculated by [ Vay P.-M., 1971] are 4.6-4.8 J/mol*K lower than those of [ Chao J., 1986].; GT |
15.12 | 150. | ||
16.74 | 200. | ||
19.49 | 273.15 | ||
20.56 ± 0.029 | 298.15 | ||
20.64 | 300. | ||
25.170 | 400. | ||
29.493 | 500. | ||
33.282 | 600. | ||
36.530 | 700. | ||
39.309 | 800. | ||
41.697 | 900. | ||
43.752 | 1000. | ||
45.523 | 1100. | ||
47.053 | 1200. | ||
48.372 | 1300. | ||
49.517 | 1400. | ||
50.511 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.13 | 335.0 | Connett J.E., 1976 | GT |
22.82 | 350.0 | ||
23.994 | 375.0 | ||
25.170 | 400.0 | ||
26.286 | 425.0 | ||
27.397 | 450.0 |
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 |
---|---|---|---|---|---|
ΔfH°liquid | -106.57 | kcal/mol | Ccr | Hall and Baldt, 1971 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -378.3 | kcal/mol | Ccb | Seno, Tsuchiya, et al., 1975 | Corresponding ΔfHºliquid = -108.8 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -380.54 ± 0.16 | kcal/mol | Ccr | Hall and Baldt, 1971 | Corresponding ΔfHºliquid = -106.56 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.51 | 288.58 | Okamoto, Oguni, et al., 1992 | T = 13 to 290 K. Unsmoothed experimental datum.; DH |
33.781 | 298.15 | Pintos, Bravo, et al., 1988 | DH |
33.60 | 298.15 | Costas and Patterson, 1985 | T = 283.15, 298.15, 313.15 K.; DH |
33.595 | 298.15 | Costas and Patterson, 1985, 2 | T = 283.15, 298.15, 313.15 K.; DH |
29.57 | 297. | Hall and Baldt, 1971 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, Gas phase ion energetics data, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 330.0 ± 0.9 | K | AVG | N/A | Average of 50 out of 55 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 175.15 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 175.1 | K | N/A | Timmermans, 1911 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 174.90 | K | N/A | Okamoto, Oguni, et al., 1992, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 510. ± 30. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 46.88 | atm | N/A | Ambrose, Ellender, et al., 1981 | Uncertainty assigned by TRC = 0.0468 atm; Visual; TRC |
Pc | 46.33 | atm | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.8000 atm; TRC |
Pc | 46.329 | atm | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.39 atm; TRC |
Pc | 47.54 | atm | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 0.99995 atm; TRC |
Pc | 57.64 | atm | N/A | Sajots, 1879 | Uncertainty assigned by TRC = 6.0000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.394 | mol/l | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
ρc | 4.32 | mol/l | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 0.08 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.9 ± 0.9 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.247 | 330.1 | N/A | Majer and Svoboda, 1985 | |
8.15 | 275. | A | Stephenson and Malanowski, 1987 | Based on data from 260. to 351. K.; AC |
7.98 | 289. | A | Stephenson and Malanowski, 1987 | Based on data from 274. to 329. K. See also Polák and Mertl, 1965 and Dykyj, 1970.; AC |
7.60 | 323. | DTA | Meyer, Awe, et al., 1980 | Based on data from 308. to 338. K.; AC |
7.05 ± 0.02 | 343. | C | Svoboda, Uchytilová, et al., 1980 | AC |
7.70 ± 0.02 | 304. | C | Svoboda, Veselý, et al., 1977 | AC |
7.55 ± 0.02 | 313. | C | Svoboda, Veselý, et al., 1977 | AC |
7.29 ± 0.02 | 328. | C | Svoboda, Veselý, et al., 1977 | AC |
7.24 ± 0.02 | 331. | C | Svoboda, Veselý, et al., 1977 | AC |
7.77 | 295. | N/A | Connett, Counsell, et al., 1976 | AC |
7.22 | 330. | N/A | Connett, Counsell, et al., 1976 | AC |
8.25 | 296. | BG | Baldt and Hall, 1971 | Based on data from 273. to 318. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
296. to 343. | 11.59 | 0.2757 | 506.8 | Majer 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 |
---|---|---|---|---|---|
274.91 to 328.99 | 4.19793 | 1164.426 | -52.69 | Polák and Mertl, 1965 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.789 | 174.897 | Okamoto, Oguni, et al., 1992 | DH |
1.79 | 174.9 | Okamoto, Oguni, et al., 1992 | AC |
Henry's Law 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
7.8 | 5000. | M | N/A |
8.6 | M | Buttery, Ling, et al., 1969 | |
11. | M | N/A |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, 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
View reactions leading to C3H6O2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.25 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 196.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 189.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.2 | PE | Cannington and Ham, 1985 | LBLHLM |
10.25 | PI | Traeger, McLouglin, et al., 1982 | LBLHLM |
10.25 ± 0.05 | PE | Benoit, Harrison, et al., 1977 | LLK |
10.33 | PE | Sweigart and Turner, 1972 | LLK |
10.27 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
10.5 | PE | Cannington and Ham, 1985 | Vertical value; LBLHLM |
10.25 | PE | Benoit and Harrison, 1977 | Vertical value; LLK |
11.0 | PE | Rao, 1975 | Vertical value; LLK |
10.59 | PE | Sustmann and Trill, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHO+ | 13.95 ± 0.08 | ? | EI | Brion and Dunning, 1963 | RDSH |
CH2+ | 20.8 | ? | EI | King and Long, 1958 | RDSH |
CH3+ | 13.07 ± 0.10 | ? | EI | Brion and Dunning, 1963 | RDSH |
CH3O+ | 12.52 ± 0.10 | ? | EI | Brion and Dunning, 1963 | RDSH |
C2H2O+ | 11.81 ± 0.15 | ? | EI | Friedland and Strakna, 1956 | RDSH |
C2H3O+ | 11.05 | CH3O | PI | Traeger, McLouglin, et al., 1982 | LBLHLM |
C2H3O+ | 10.9 ± 0.1 | CH3O | EI | Burgers and Holmes, 1982 | LBLHLM |
C2H3O+ | 10.94 | ? | EI | Holmes and Lossing, 1979 | LLK |
C2H3O+ | 11.37 ± 0.05 | CH3O | EI | Haney and Franklin, 1969 | RDSH |
C2H3O2+ | 11.32 ± 0.05 | CH3 | EI | Blanchette, Holmes, et al., 1986 | LBLHLM |
C2H3O2+ | 12.35 ± 0.03 | CH3 | EI | Briggs and Shannon, 1969 | RDSH |
De-protonation reactions
C3H5O2- + =
By formula: C3H5O2- + H+ = C3H6O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 371.8 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 371.8 ± 3.7 | kcal/mol | D-EA | Zimmerman, Reed, et al., 1977 | gas phase; B |
ΔrH° | 375.9 ± 3.5 | kcal/mol | EIAE | Pariat and Allan, 1991 | gas phase; From CH3CO2Me; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.1 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Connett J.E., 1976
Connett J.E.,
Thermodynamic properties of organic oxygen compounds. XLIV. Vapor heat capacities and enthalpies of vaporization of methyl acetate, ethyl acetate, and propyl acetate,
J. Chem. Thermodyn., 1976, 8, 1199-1203. [all data]
Seno, Tsuchiya, et al., 1975
Seno, M.; Tsuchiya, S.; Kise, H.; Asahara, T.,
Studies on bond character in phosphorus ylides by combustion heat and x-ray photoelectron spectroscopy,
Bull. Chem. Soc. Jpn., 1975, 48, 2001-2005. [all data]
Okamoto, Oguni, et al., 1992
Okamoto, N.; Oguni, M.; Suga, H.,
Low temperature calorimetric study of methyl acetate,
Thermochim. Acta, 1992, 202, 215-222. [all data]
Pintos, Bravo, et al., 1988
Pintos, M.; Bravo, R.; Baluja, M.C.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E.,
Can. J. Chem., 1988, 1179. [all data]
Costas and Patterson, 1985
Costas, M.; Patterson, D.,
Heat capacities of water + organic-solvent mixtures, J. Chem. Soc.,
Faraday Trans. 1, 1985, 81, 2381-2398. [all data]
Costas and Patterson, 1985, 2
Costas, M.; Patterson, D.,
Self-association of alcohols in inert solvents, J. Chem. Soc.,
Faraday Trans. 1, 1985, 81, 635-654. [all data]
Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M.,
Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds,
J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [all data]
Timmermans, 1911
Timmermans, J.,
Researches on the freezing point of organic liquid compounds,
Bull. Soc. Chim. Belg., 1911, 25, 300. [all data]
Okamoto, Oguni, et al., 1992, 2
Okamoto, N.; Oguni, M.; Saga, H.,
Low temperature calorimetric study of methyl acetate,
Thermochim. Acta, 1992, 202, 215, https://doi.org/10.1016/0040-6031(92)85165-R
. [all data]
Ambrose, Ellender, et al., 1981
Ambrose, D.; Ellender, J.H.; Gundry, H.A.; Lee, D.A.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds. LI. The vapour pressures of some esters and fatty acids,
J. Chem. Thermodyn., 1981, 13, 795. [all data]
Young, 1910
Young, S.,
The Internal Heat of Vaporization constants of thirty pure substances,
Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]
Young and Thomas, 1893
Young, S.; Thomas, G.L.,
The vapour pressures, molecular volumes, and critical constants of ten of the lower esters,
J. Chem. Soc., 1893, 63, 1191. [all data]
Nadezhdin, 1887
Nadezhdin, A.,
Rep. Phys., 1887, 23, 708. [all data]
Sajots, 1879
Sajots, W.,
Vapor Pressures of Saturated Vapors at High Temperatures.,
Beibl. Ann. Phys., 1879, 3, 741-3. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Polák and Mertl, 1965
Polák, J.; Mertl, I.,
Saturated vapour pressure of methyl acetate, ethyl acetate, n-propyl acetate, methyl propionate, and ethyl propionate,
Collect. Czech. Chem. Commun., 1965, 30, 10, 3526-3528, https://doi.org/10.1135/cccc19653526
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Meyer, Awe, et al., 1980
Meyer, Edwin F.; Awe, Michael J.; Wagner, Robert E.,
Cohesive energies in polar organic liquids. 4. n-Alkyl acetates,
J. Chem. Eng. Data, 1980, 25, 4, 371-374, https://doi.org/10.1021/je60087a030
. [all data]
Svoboda, Uchytilová, et al., 1980
Svoboda, Václav; Uchytilová, Vera; Majer, Vladimír; Pick, Jirí,
Heats of vaporization of alkyl esters of formic, acetic and propionic acids,
Collect. Czech. Chem. Commun., 1980, 45, 12, 3233-3240, https://doi.org/10.1135/cccc19803233
. [all data]
Svoboda, Veselý, et al., 1977
Svoboda, V.; Veselý, F.; Holub, R.; Pick, J.,
Heats of vaporization of alkyl acetates and propionates,
Collect. Czech. Chem. Commun., 1977, 42, 3, 943-951, https://doi.org/10.1135/cccc19770943
. [all data]
Connett, Counsell, et al., 1976
Connett, J.E.; Counsell, J.F.; Lee, D.A.,
Thermodynamic properties of organic oxygen compounds XLIV. Vapour heat capacities and enthalpies of vaporization of methyl acetate, ethyl acetate, and propyl acetate,
The Journal of Chemical Thermodynamics, 1976, 8, 12, 1199-1203, https://doi.org/10.1016/0021-9614(76)90129-4
. [all data]
Baldt and Hall, 1971
Baldt, J.H.; Hall, H.K.K., Jr.,
Thermochemistry of strained-ring bridgehead nitriles and esters,
J. Am. Chem. Soc., 1971, 93, 140-145. [all data]
Buttery, Ling, et al., 1969
Buttery, R.G.; Ling, L.C.; Guadagni, D.G.,
Volatilities Aldehydes, Ketones, and Esters in Dilute Water Solution,
J. Agric. Food Chem., 1969, 17, 385-389. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Cannington and Ham, 1985
Cannington, P.H.; Ham, N.S.,
He(II) photoelectron spectra of esters,
J. Electron Spectrosc. Relat. Phenom., 1985, 36, 203. [all data]
Traeger, McLouglin, et al., 1982
Traeger, J.C.; McLouglin, R.G.; Nicholson, A.J.C.,
Heat of formation for acetyl cation in the gas phase,
J. Am. Chem. Soc., 1982, 104, 5318. [all data]
Benoit, Harrison, et al., 1977
Benoit, F.M.; Harrison, A.G.; Lossing, F.P.,
Hydrogen migrations in mass spectrometry III-Energetics of formation of [R'CO2H2]+ in the mass spectra of R'CO2R,
Org. Mass Spectrom., 1977, 12, 78. [all data]
Sweigart and Turner, 1972
Sweigart, D.A.; Turner, D.W.,
Lone pair orbitals and their interactions studied by photoelectron spectroscopy. I. Carboxylic acids and their derivatives,
J. Am. Chem. Soc., 1972, 94, 5592. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G.,
Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules,
J. Am. Chem. Soc., 1977, 99, 3980. [all data]
Rao, 1975
Rao, C.N.R.,
Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules,
Indian J. Chem., 1975, 13, 950. [all data]
Sustmann and Trill, 1972
Sustmann, R.; Trill, H.,
Photoelektronenspektroskopische Bestimmung von Substituenten-Effekten. II. α,β-ungesattigte Carbonester,
Tetrahedron Lett., 1972, 42, 4271. [all data]
Brion and Dunning, 1963
Brion, C.E.; Dunning, W.J.,
Electron impact studies of simple carboxylic esters,
J. Chem. Soc. Faraday Trans., 1963, 59, 647. [all data]
King and Long, 1958
King, A.B.; Long, F.A.,
Mass spectra of some simple esters and their interpretation by quasi-equilibrium theory,
J. Chem. Phys., 1958, 29, 374. [all data]
Friedland and Strakna, 1956
Friedland, S.S.; Strakna, R.E.,
Appearance potential studies. I,
J. Phys. Chem., 1956, 60, 815. [all data]
Burgers and Holmes, 1982
Burgers, P.C.; Holmes, J.L.,
Metastable ion studies. XIII. The measurement of appearance energies of metastable peaks,
Org. Mass Spectrom., 1982, 17, 123. [all data]
Holmes and Lossing, 1979
Holmes, J.L.; Lossing, F.P.,
Keto and enol forms of methyl acetate molecular ions, their stability and interconvertibility prior to fragmentation in the gas phase,
Org. Mass Spectrom., 1979, 14, 512. [all data]
Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L.,
Excess energies in mass spectra of some oxygen-containing organic compounds,
J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]
Blanchette, Holmes, et al., 1986
Blanchette, M.C.; Holmes, J.L.; Hop, C.E.C.A.; Lossing, F.P.; Postma, R.; Ruttink, P.J.A.; Terlouw, J.K.,
Theory and experiment in concert; the CH3O-C=O+ ion and its isomers,
J. Am. Chem. Soc., 1986, 108, 7589. [all data]
Briggs and Shannon, 1969
Briggs, P.R.; Shannon, T.W.,
The heat of formation of the methoxycarbonyl ion,
J. Am. Chem. Soc., 1969, 91, 4307. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Zimmerman, Reed, et al., 1977
Zimmerman, A.H.; Reed, K.J.; Brauman, J.I.,
Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals,
J. Am. Chem. Soc., 1977, 99, 7203. [all data]
Pariat and Allan, 1991
Pariat, Y.; Allan, M.,
Dissociative Attachment to Methyl Acetate: Evidence for Ion/Molecule Complexes as Intermediates,
Int. J. Mass Spectrom. Ion Proc., 1991, 103, 2-3, 181, https://doi.org/10.1016/0168-1176(91)80088-5
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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