[2.2]Paracyclophane

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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
Δfsolid146.7 ± 2.8kJ/molCcbNishiyama, Sakiyama, et al., 1980ALS
Δfsolid144.7 ± 0.88kJ/molCcbRodgers, Westrum, et al., 1973ALS
Δfsolid154. ± 4.kJ/molCcbBoyd, 1966ALS
Quantity Value Units Method Reference Comment
Δcsolid-8729.5 ± 1.8kJ/molCcbNishiyama, Sakiyama, et al., 1980Corresponding Δfsolid = 146.68 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-8727.57 ± 0.63kJ/molCcbRodgers, Westrum, et al., 1973Corresponding Δfsolid = 144.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-8737. ± 4.kJ/molCcbBoyd, 1966Corresponding Δfsolid = 154. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar265.68J/mol*KN/AAndrews and Westrum, 1970DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
252.7298.15Rodgers, Westrum, et al., 1973Cp given as 0.290 cal/g*K.; DH
252.34298.15Andrews and Westrum, 1970T = 10 to 350 K.; DH
248.1300.Shieh, McNally, et al., 1969T = 300, 318 K.; DH

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


References

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

Nishiyama, Sakiyama, et al., 1980
Nishiyama, K.; Sakiyama, N.; Seki, S.; Horita, H.; Otsubo, T.; Misumi, S., Thermochemical studies on double- and triple-layered [2.2]paracyclophanes. Estimation of molecular strain energies., Bull. Chem. Soc. Jpn., 1980, 53, 869-877. [all data]

Rodgers, Westrum, et al., 1973
Rodgers, D.L.; Westrum, E.F., Jr.; Andrews, J.T.S., The enthalpies of combustion and formation of [2.2]-paracyclophane and triptycene, J. Chem. Thermodyn., 1973, 5, 733-739. [all data]

Boyd, 1966
Boyd, R.H., The heat of combustion and strain energy of 2,2-paracyclophane, Tetrahedron, 1966, 22, 119-122. [all data]

Andrews and Westrum, 1970
Andrews, J.T.S.; Westrum, E.F., Jr., The heat capacity and thermodynamic functions of crystalline and liquid triptycene, J. Chem. Thermodynam., 1970, 2, 245-253. [all data]

Shieh, McNally, et al., 1969
Shieh, C.; McNally, D.; Boyd, R.H., The heats of combustion and strain energies of some cyclophanes, Tetrahedron, 1969, 3653-3665. [all data]


Notes

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