Spiropentane

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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.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas44.23 ± 0.18kcal/molCmFraser and Prosen, 1955ALS
Quantity Value Units Method Reference Comment
Δcgas-787.77 ± 0.17kcal/molCmFraser and Prosen, 1955Corresponding Δfgas = 44.25 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-778.7 ± 0.31kcal/molCcbHumphrey and Spitzer, 1950Corresponding Δfgas = 35.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
66.37 ± 0.15283.16Scott D.W., 1950GT
67.45 ± 0.15298.16
68.44 ± 0.15312.14

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
21.06298.15Scott D.W., 1950Heat capacity values calculated using more recent assignment of vibrational frequencies [ Burns G.R., 1975] agree well with those of the [ Scott D.W., 1950].; GT
21.19300.
28.549400.
34.909500.
40.100600.
44.359700.
47.911800.
50.930900.
53.5111000.
55.7291100.
57.6411200.
59.2901300.
60.7291400.
61.9791500.

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 .


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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118856

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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.

Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J., Heats of combustion and isomerization of six pentadienes and spiropentane, J. Res. NBS, 1955, 54, 143-148. [all data]

Humphrey and Spitzer, 1950
Humphrey, G.I.; Spitzer, R., Bond hybridization in the non-tetrahedral carbon atom. The heats of combustion of spiro-pentane and methylcyclobutane, J. Chem. Phys., 1950, 18, 902. [all data]

Scott D.W., 1950
Scott D.W., Spiropentane: heat capacity, heats of fusion and vaporization, vapor pressure, entropy and thermodynamic functions, J. Am. Chem. Soc., 1950, 72, 4664-4668. [all data]

Burns G.R., 1975
Burns G.R., The force field and normal coordinates of spiropentane, J. Mol. Struct., 1975, 27, 383-390. [all data]


Notes

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