2,4,6,8-Tetrathiatricyclo[3.3.1.1(3,7)]decane, 1,3,5,7-tetramethyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-8.8 ± 1.2kcal/molCcrHeath, Hefter, et al., 1978hf_H2SO4.115H2O=-143.95 kcal/mol

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
Δfsolid-36.8 ± 0.7kcal/molCcrHeath, Hefter, et al., 1978hf_H2SO4.115H2O=-143.95 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-2026.1 ± 0.6kcal/molCcrHeath, Hefter, et al., 1978hf_H2SO4.115H2O=-143.95 kcal/mol; ALS
Quantity Value Units Method Reference Comment
solid,1 bar71.900cal/mol*KN/AChang and Westrum, 1962DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
70.710298.15Chang and Westrum, 1962T = 5 to 350 K.; DH

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub28.0 ± 1.0kcal/molVHeath, Hefter, et al., 1978hf_H2SO4.115H2O=-143.95 kcal/mol; ALS
Δsub27.96kcal/molN/AHeath, Hefter, et al., 1978DRB
Δsub27.99 ± 0.98kcal/molTEHeath, Hefter, et al., 1978AC

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin R RYHAGE MS-LAB KAROLINSKA INSTITUTET STOCKHOLM SWEDEN
NIST MS number 42557

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Heath, Hefter, et al., 1978
Heath, G.A.; Hefter, G.T.; Steele, W.V., The standard enthalpy of formation of 1,3,5,7-tetramethyl-2,4,6,8-tetrathiaadamatane, J. Chem. Thermodyn., 1978, 10, 395-401. [all data]

Chang and Westrum, 1962
Chang, S.-S.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. III. Two methyl-substituted polythiaadamantanes, Ber. Bunsenges. Phys. Chem., 1962, 66, 524-527. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References