Spiropentane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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 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
Δfgas185.1 ± 0.75kJ/molCmFraser and Prosen, 1955ALS
Quantity Value Units Method Reference Comment
Δcgas-3296.0 ± 0.71kJ/molCmFraser and Prosen, 1955Corresponding Δfgas = 185.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-3258. ± 1.3kJ/molCcbHumphrey and Spitzer, 1950Corresponding Δfgas = 147. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
277.69 ± 0.63283.16Scott D.W., 1950GT
282.21 ± 0.63298.16
286.35 ± 0.63312.14

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
88.12298.15Scott 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
88.66300.
119.45400.
146.06500.
167.78600.
185.60700.
200.46800.
213.09900.
223.891000.
233.171100.
241.171200.
248.071300.
254.091400.
259.321500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid193.68J/mol*KN/AScott, Finke, et al., 1950 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
134.52298.15Scott, Finke, et al., 1950T = 12 to 312 K.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil312.1KN/AMajer and Svoboda, 1985 
Tboil303.18KN/ACleaves and Sherrick, 1946Uncertainty assigned by TRC = 0.1 K; same as in 1946 sla 1; TRC
Tboil312.18KN/ASlabey, 1946Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tfus166.10KN/ACleaves and Sherrick, 1946Uncertainty assigned by TRC = 0.1 K; same as in 1946 sla 1; TRC
Tfus166.10KN/ASlabey, 1946Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple166.14KN/AScott, Finke, et al., 1950, 2Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc506.4KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap27.7kJ/molN/AMajer and Svoboda, 1985 
Δvap27.5 ± 0.1kJ/molCScott, Finke, et al., 1950AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
26.76312.1N/AMajer and Svoboda, 1985 
26.748312.13N/AScott, Finke, et al., 1950P = 101.325 kPa; DH
28.6291.AStephenson and Malanowski, 1987Based on data from 276. to 344. K. See also Scott, Finke, et al., 1950, 3.; AC
28.3 ± 0.1283.CScott, Finke, et al., 1950AC
26.7 ± 0.1312.CScott, Finke, et al., 1950AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
283. to 312.41.440.2778506.4Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
85.70312.13Scott, Finke, et al., 1950P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
276.78 to 343.984.041341089.801-42.079Scott, Finke, et al., 1950Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
6.4333166.14Scott, Finke, et al., 1950DH
6.43166.1Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
38.72166.14Scott, Finke, et al., 1950DH

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:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, 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: 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)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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: 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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Due to licensing restrictions, this spectrum cannot be downloaded.

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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.

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]

Scott, Finke, et al., 1950
Scott, D.W.; Finke, H.L.; Hubbard, W.N.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G.; Huffman, H.M., Spiropentane: heat capacity, heats of fusion and vaporization, vapor pressure, entropy and thermodynamic functions, J. Am. Chem. Soc., 1950, 72, 4664-4668. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Cleaves and Sherrick, 1946
Cleaves, A.P.; Sherrick, M.E., , Natl. Advis. Comm. Aeronaut., 1946. [all data]

Slabey, 1946
Slabey, V.A., , Natl. Advis. Comm. Aeronaut., 1946. [all data]

Scott, Finke, et al., 1950, 2
Scott, D.W.; Finke, H.L.; Hubbard, W.N.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G.; Huffman, H.M., Spiropentane: Heat Capacity, Heats of Fusion and Vaporization, Vapor Pressure, Entropy and Thermodynamic Functions, J. Am. Chem. Soc. 72, 1950, 4664 1950. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Scott, Finke, et al., 1950, 3
Scott, D.W.; Finke, H.L.; Gross, M.E.; Guthrie, G.B.; Huffman, H.M., 2,3-Dithiabutane: low temperature heat capacity, heat of fusion, heat of vaporization, vapor pressure, entropy and thermodynamic functions, J. Am. Chem. Soc., 1950, 72, 2424-2430. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

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