Phosphoric acid, trimethyl ester
- Formula: C3H9O4P
- Molecular weight: 140.0749
- IUPAC Standard InChIKey: WVLBCYQITXONBZ-UHFFFAOYSA-N
- CAS Registry Number: 512-56-1
- 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 phosphate; Trimethoxyphosphine oxide; Trimethyl orthophosphate; Trimethyl phosphate; (CH3O)3PO; Methyl phosphate, (MeO)3PO; NCI-C03781; TMP; Trimethylfosfat; O,O,O-Trimethyl phosphate; NSC 58985; TMPA; TMPO
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Phase change data
Go To: Top, 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:
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 47.5 | kJ/mol | CGC | Panneerselvam, Antony, et al., 2007 | Based on data from 408. to 438. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
48.8 | 311. | A | Stephenson and Malanowski, 1987 | Based on data from 296. to 466. K. See also Stull, 1947.; AC |
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 |
---|---|---|---|---|---|
299. to 465.9 | 4.96817 | 2249.287 | -12.294 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Phase change 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
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 890.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 860.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.0 | PE | Chattorpadhyay, Findley, et al., 1981 | LLK |
9.99 | PE | Hodges, McDonnell, et al., 1980 | LLK |
10.70 ± 0.10 | EI | Santoro, 1973 | LLK |
10.77 ± 0.30 | EI | Bafus, Gallegos, et al., 1966 | RDSH |
10.90 | PE | Chattorpadhyay, Findley, et al., 1981 | Vertical value; LLK |
10.82 | PE | Cowley, Lattman, et al., 1977 | Vertical value; LLK |
10.81 | PE | Vovna, Lopatin, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHO+ | 17.3 ± 0.4 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
CH3+ | 17.90 ± 0.40 | ? | EI | Santoro, 1973 | LLK |
CH3+ | 18.6 ± 0.3 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
CH3O+ | 17.3 ± 0.4 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
CH4O2P+ | 14.90 ± 0.20 | 2HCHO+H | EI | Santoro, 1973 | LLK |
CH4O2P+ | 15.1 ± 0.2 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
CH4O3P+ | 13.90 ± 0.20 | HCHO+CH3 | EI | Santoro, 1973 | LLK |
CH4O3P+ | 14.4 ± 0.3 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
CH5O2P+ | 12.91 ± 0.10 | 2HCHO | EI | Santoro, 1973 | LLK |
CH5O2P+ | 13.9 ± 0.4 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
C2H5O+ | 14.0 ± 0.2 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
C2H6O3P+ | 14.1 ± 0.20 | HCHO+H | EI | Santoro, 1973 | LLK |
C2H6O3P+ | 14.1 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
C2H7O3P+ | 11.62 ± 0.10 | HCHO | EI | Santoro, 1973 | LLK |
C2H7O3P+ | 11.9 ± 0.2 | CH2O | EI | Bafus, Gallegos, et al., 1966 | RDSH |
C3H8O4P+ | 12.73 ± 0.20 | H | EI | Santoro, 1973 | LLK |
PH2O2+ | 15.1 ± 0.3 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
OP+ | 18.90 ± 0.50 | O+CH3O+2H | EI | Santoro, 1973 | LLK |
PO+ | 19.6 ± 0.3 | ? | EI | Bafus, Gallegos, et al., 1966 | RDSH |
References
Go To: Top, Phase change 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.
Panneerselvam, Antony, et al., 2007
Panneerselvam, K.; Antony, M.P.; Srinivasan, T.G.; Rao, P.R. Vasudeva,
Measurement of enthalpies of vaporization of trialkyl phosphates using correlation gas chromatography,
Thermochimica Acta, 2007, 466, 1-2, 49-56, https://doi.org/10.1016/j.tca.2007.10.007
. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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]
Chattorpadhyay, Findley, et al., 1981
Chattorpadhyay, S.; Findley, G.L.; McGlynn, S.P.,
Photoelectron spectroscopy of phosphites and phosphates,
J. Electron Spectrosc. Relat. Phenom., 1981, 24, 27. [all data]
Hodges, McDonnell, et al., 1980
Hodges, R.V.; McDonnell, T.J.; Beauchamp, J.L.,
Properties reactions of trimethyl phosphite, trimethyl phosphate, triethyl phosphate, and trimethyl phosphorothionate by ion cyclotron resonance spectroscopy,
J. Am. Chem. Soc., 1980, 102, 1327. [all data]
Santoro, 1973
Santoro, E.,
The fragmentation of some alkyl thiophosphate esters by electron-impact,
Org. Mass Spectrom., 1973, 7, 589. [all data]
Bafus, Gallegos, et al., 1966
Bafus, D.A.; Gallegos, E.J.; Kiser, R.W.,
An electron impact investigation of some alkyl phosphate esters,
J. Phys. Chem., 1966, 70, 2614. [all data]
Cowley, Lattman, et al., 1977
Cowley, A.H.; Lattman, M.; Montag, R.A.; Verkade, J.G.,
The coordination behavior of acyclic phosphites; a UV photoelectron spectroscopic study,
Inorg. Chim. Acta, 1977, 25, 151. [all data]
Vovna, Lopatin, et al., 1975
Vovna, V.I.; Lopatin, S.N.; Pettsol'd, R.; Vilesov, F.I.,
Photoelectron spectra and electronic structure of some phosphoryl compounds,
Khim. Vys. Energ., 1975, 9, 9. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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