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sulphuryl dichloride

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Gas 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.

Quantity Value Units Method Reference Comment
Deltafgas-84.799kcal/molReviewChase, 1998Data last reviewed in June, 1971
Quantity Value Units Method Reference Comment
gas,1 bar74.352cal/mol*KReviewChase, 1998Data last reviewed in June, 1971

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.

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Temperature (K) 298. - 1100.1100. - 6000.
A 14.2767025.58650
B 24.553610.137432
C -20.54860-0.027726
D 6.2536810.001916
E -0.134496-1.308571
F -90.43021-95.98251
G 84.41090100.0640
H -84.80000-84.80000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1971 Data last reviewed in June, 1971

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil341.KN/AKharasch and Zavist, 1951Uncertainty assigned by TRC = 3. K; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Reference Comment
8.25272.Dykyj, Svoboda, et al., 1999Based on data from 357. - 365. 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:


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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

Methyl cation + sulphuryl dichloride = (Methyl cation bullet sulphuryl dichloride)

By formula: CH3+ + Cl2O2S = (CH3+ bullet Cl2O2S)

Quantity Value Units Method Reference Comment
Deltar62.1kcal/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

Tetraethyl sulphamide + 2Diethylamine, hydrochloride = 4Ethanamine, N-ethyl- + sulphuryl dichloride

By formula: C8H20N2O2S + 2C4H12ClN = 4C4H11N + Cl2O2S

Quantity Value Units Method Reference Comment
Deltar130.0 ± 1.7kcal/molCmClaydon and Mortimer, 1962liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 129.8 ± 1.7 kcal/mol; ALS

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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: Takehiko Shimanouchi

Symmetry:   C2nu     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 SO2 s-str 1205  C 1205 S gas 1182 S p liq.
a1 2 SO2 scis 577  D 577 VS gas 560 VS p liq.
a1 3 SCl2 s-str 408  D 408 VS p liq.
a1 4 SCl2 scis 218  D 218 VS p liq.
a2 5 SO2 twist 282  D  ia 282 S dp liq.
b1 6 SO2 a-str 1434  C 1434 S gas 1414 M dp liq.
b1 7 SO2 rock 388  D 388 S dp liq.
b2 8 SCl2 a-str 586  D 586 VS gas 580 VW dp liq.
b2 9 SO2 wag 362  D 362 sh dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
VWVery weak
iaInactive
shShoulder
pPolarized
dpDepolarized
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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]

Kharasch and Zavist, 1951
Kharasch, M.S.; Zavist, A.F., Reactions of Atoms and Free Radicals in Solution. XXIII. The Peroxide- Induced Addition of Sulfuryl Chloride to 1-Alkenes, J. Am. Chem. Soc., 1951, 73, 964. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Claydon and Mortimer, 1962
Claydon, A.P.; Mortimer, C.T., Heats of formation and bond energies. Part VIII. Diethylaminotrimethylsilane, NN'-dithiodiethylamine, NN'-thionylbisdiethylamine, and NN'-sulphurylbisdiethylamine, J. Chem. Soc., 1962, 3212-3216. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References