sulphur trioxide

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, 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.

Quantity Value Units Method Reference Comment
Δfgas-94.591kcal/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar61.370cal/mol*KReviewChase, 1998Data last reviewed in September, 1965

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. to 1200.1200. to 6000.
A 5.74212019.59610
B 28.551790.148718
C -22.55900-0.029264
D 6.4441620.001982
E -0.028087-1.602220
F -97.47911-104.6030
G 60.5924079.09331
H -94.59020-94.59020
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1965 Data last reviewed in September, 1965

Phase change data

Go To: Top, Gas 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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus290.1KN/AKondrat'ev and Strizhov, 1985Uncertainty assigned by TRC = 0.1 K; gamma phase; TRC
Quantity Value Units Method Reference Comment
Δvap10.9 ± 0.2kcal/molN/AKondrat'ev and Strizhov, 1985Based on data from 290. to 318. K.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
11.2290.Kondrat'ev and Strizhov, 1985Based on data from 290. to 318. K.; AC
7.74368.Abercromby and Tiley, 1963Based on data from 353. to 473. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
333. to 483.4.19944892.175-103.564Abercromby and Tiley, 1963, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
2.23290.2ACKondrat'ev and Strizhov, 1989Based on data from 16. to 332. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law data

Go To: Top, Gas phase thermochemistry data, 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, Gas 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:
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 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)140.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity133.9kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.90 ± 0.10IMRBGleason, 1987See also Dobrin, Boo, et al., 2000; B
2.064 ± 0.085R-ARudny, Sidorov, et al., 1985EA is calculated at 298 K.; value altered from reference due to conversion from electron convention to ion convention; B
1.70 ± 0.15NBIERothe, Tang, et al., 1975B

Ionization energy determinations

IE (eV) Method Reference Comment
13.15 ± 0.05EISnow and Thomas, 1990LL
13.2 ± 0.2EISmith and Stevenson, 1981LLK
12.82 ± 0.01PELloyd, Roberts, et al., 1976LLK
12.81 ± 0.03PEAlderdice and Dixon, 1976LLK
12.82 ± 0.03PEMines and Thomas, 1974LLK
12.73 ± 0.05PEDeKock and Lloyd, 1973LLK
11.0 ± 0.5EIFicalora, Uy, et al., 1968RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
OS+15.1 ± 0.1O2EISnow and Thomas, 1990LL
OS+14.8 ± 0.2O2EISmith and Stevenson, 1981LLK
O2+16.8 ± 0.5SOEISmith and Stevenson, 1981LLK
O2S+18.4 ± 0.1OEISnow and Thomas, 1990LL
O2S+18.3 ± 0.4OEISmith and Stevenson, 1981LLK
S+20.3 ± 0.5O2+OEISmith and Stevenson, 1981LLK

References

Go To: Top, Gas 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

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, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, References