sulphur trioxide
- Formula: O3S
- Molecular weight: 80.063
- IUPAC Standard InChIKey: AKEJUJNQAAGONA-UHFFFAOYSA-N
- CAS Registry Number: 7446-11-9
- 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: Sulfur trioxide
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Phase change data
Go To: Top, 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 290.1 | K | N/A | Kondrat'ev and Strizhov, 1985 | Uncertainty assigned by TRC = 0.1 K; gamma phase; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 45.5 ± 0.8 | kJ/mol | N/A | Kondrat'ev and Strizhov, 1985 | Based on data from 290. to 318. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
46.7 | 290. | Kondrat'ev and Strizhov, 1985 | Based on data from 290. to 318. K.; AC |
32.4 | 368. | Abercromby and Tiley, 1963 | Based on data from 353. to 473. K.; 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 |
---|---|---|---|---|---|
333. to 483. | 4.20515 | 892.175 | -103.564 | Abercromby and Tiley, 1963, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.35 | 290.2 | AC | Kondrat'ev and Strizhov, 1989 | Based on data from 16. to 332. K.; AC |
Henry's Law data
Go To: Top, Phase change 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 by: Rolf Sander
Error: Bad or missing data.
Gas phase ion energetics data
Go To: Top, 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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to O3S+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.80 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 588.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 560.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.90 ± 0.10 | IMRB | Gleason, 1987 | See also Dobrin, Boo, et al., 2000; B |
2.064 ± 0.085 | R-A | Rudny, Sidorov, et al., 1985 | EA is calculated at 298 K.; value altered from reference due to conversion from electron convention to ion convention; B |
1.70 ± 0.15 | NBIE | Rothe, Tang, et al., 1975 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.15 ± 0.05 | EI | Snow and Thomas, 1990 | LL |
13.2 ± 0.2 | EI | Smith and Stevenson, 1981 | LLK |
12.82 ± 0.01 | PE | Lloyd, Roberts, et al., 1976 | LLK |
12.81 ± 0.03 | PE | Alderdice and Dixon, 1976 | LLK |
12.82 ± 0.03 | PE | Mines and Thomas, 1974 | LLK |
12.73 ± 0.05 | PE | DeKock and Lloyd, 1973 | LLK |
11.0 ± 0.5 | EI | Ficalora, Uy, et al., 1968 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
OS+ | 15.1 ± 0.1 | O2 | EI | Snow and Thomas, 1990 | LL |
OS+ | 14.8 ± 0.2 | O2 | EI | Smith and Stevenson, 1981 | LLK |
O2+ | 16.8 ± 0.5 | SO | EI | Smith and Stevenson, 1981 | LLK |
O2S+ | 18.4 ± 0.1 | O | EI | Snow and Thomas, 1990 | LL |
O2S+ | 18.3 ± 0.4 | O | EI | Smith and Stevenson, 1981 | LLK |
S+ | 20.3 ± 0.5 | O2+O | EI | Smith and Stevenson, 1981 | LLK |
References
Go To: Top, 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.
Kondrat'ev and Strizhov, 1985
Kondrat'ev, S.N.; Strizhov, B.V.,
Zh. Fiz. Khim., 1985, 59, 2933. [all data]
Abercromby and Tiley, 1963
Abercromby, D.C.; Tiley, P.F.,
937. The Condensed phases of sulphur trioxide. Part II. Vapour pressure of the liquid at temperatures up to the critical point,
J. Chem. Soc., 1963, 4902, https://doi.org/10.1039/jr9630004902
. [all data]
Abercromby and Tiley, 1963, 2
Abercromby, D.C.; Tiley, P.F.,
The Condensed Phases of Sulphur Trioxide. Part II. Vapour Pressure of the Liquid at Temperatures up to the Critical Point,
J. Chem. Soc., 1963, 4902-4904, https://doi.org/10.1039/jr9630004902
. [all data]
Kondrat'ev and Strizhov, 1989
Kondrat'ev, S.N.; Strizhov, B.V.,
Russ. J. Phys. Chem., 1989, 63, 656. [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]
Gleason, 1987
Gleason, J.F.,
as cited in 95MIL/VIG, Ph.D. dissertation, Univ. of Colorado,, 1987. [all data]
Dobrin, Boo, et al., 2000
Dobrin, S.; Boo, B.H.; Alconcel, L.S.; Continetti, R.E.,
Photoelectron spectroscopy of SO3- at 355 and 266 nm,
J. Phys. Chem. A, 2000, 104, 46, 10695-10700, https://doi.org/10.1021/jp0025680
. [all data]
Rudny, Sidorov, et al., 1985
Rudny, E.B.; Sidorov, L.N.; Voyk, O.M.,
Heterolytic Dissociation of Potassium Sulfate in the Gas Phase and Heats of Formation for Trioxosulfate(1-), Tetraoxosulfate(1-), and Potassium Sulfate(KSO4-) Ions,
High Temp., 1985, 23, 238. [all data]
Rothe, Tang, et al., 1975
Rothe, E.W.; Tang, S.Y.; Reck, G.P.,
Measurement of electron affinities of O3, SO2, and SO3 by collisional ionization,
J. Chem. Phys., 1975, 62, 3829. [all data]
Snow and Thomas, 1990
Snow, K.B.; Thomas, T.F.,
Mass spectrum, ionization potential, and appearance potentials for fragment ions of sulfuric acid vapor,
Int. J. Mass Spectrom. Ion Processes, 1990, 96, 49. [all data]
Smith and Stevenson, 1981
Smith, O.I.; Stevenson, J.S.,
Determination of cross sections for formation of parent and fragment ions by electron impact from SO2 and SO3,
J. Chem. Phys., 1981, 74, 6777. [all data]
Lloyd, Roberts, et al., 1976
Lloyd, D.R.; Roberts, P.J.; Hillier, I.H.; Shenton, I.C.,
On the photoelectron spectrum of sulphur trioxide,
Mol. Phys., 1976, 31, 1549. [all data]
Alderdice and Dixon, 1976
Alderdice, D.S.; Dixon, R.N.,
Photoelectron spectrum of sulphur trioxide,
J. Chem. Soc. Faraday Trans. 2, 1976, 72, 372. [all data]
Mines and Thomas, 1974
Mines, G.W.; Thomas, R.K.,
The photoelectron spectrum of sulphur trioxide: Jahn-Teller distortion in SO3+,
Proc. R. Soc. London A:, 1974, 336, 355. [all data]
DeKock and Lloyd, 1973
DeKock, R.L.; Lloyd, D.R.,
The HeIphotoelectron spectrum of sulphur trioxide,
J. Chem. Soc. Dalton Trans., 1973, 526. [all data]
Ficalora, Uy, et al., 1968
Ficalora, P.J.; Uy, O.M.; Muenow, D.W.; Margrave, J.L.,
Mass spectrometric studies at high temperatures: XXIX. Thermal decomposition and sublimation of alkali metal sulfates,
J. Am. Ceram. Soc., 1968, 51, 574. [all data]
Notes
Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfusH Enthalpy of fusion 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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