Cyclopentane, 1,3-dimethyl-, cis-

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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
Δfgas-133.6 ± 1.5kJ/molCmJohnson, Prosen, et al., 1949ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
44.4850.Thermodynamics Research Center, 1997p=1 bar. Selected values of S(T) are in good agreement with those calculated by a method of increments [ Scott D.W., 1960, Epstein M.B., 1949]; discrepancies between Cp(T) amount to 1-2 J/mol*K.; GT
57.03100.
73.29150.
91.08200.
122.6273.15
134.5298.15
135.4300.
183.3400.
225.9500.
261.4600.
291.0700.
316.0800.
337.3900.
355.51000.
371.11100.
384.61200.
396.31300.
406.41400.
415.11500.
432.41750.
444.92000.
454.12250.
461.02500.
466.42750.
470.63000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
161.69 ± 0.32352.20McCullough J.P., 1959GT
172.23 ± 0.34375.20
190.57 ± 0.38415.20
207.77 ± 0.42455.20
226.12 ± 0.45500.20

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-168.2 ± 1.4kJ/molCmJohnson, Prosen, et al., 1949 
Quantity Value Units Method Reference Comment
Δcliquid-4587.3 ± 1.4kJ/molCmJohnson, Prosen, et al., 1949Corresponding Δfliquid = -168.1 kJ/mol (simple calculation by NIST; no Washburn corrections)

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil364.0 ± 0.6KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus139. ± 3.KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple139.48KN/AGross, Oliver, et al., 1953Uncertainty assigned by TRC = 0.07 K; mis-identified as trans-1,3-dimethylcyclopentane in orginal paper; TRC
Quantity Value Units Method Reference Comment
Tc551.9KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap34.3kJ/molN/AMajer and Svoboda, 1985 
Δvap34.3kJ/molN/AReid, 1972AC
Δvap34.2kJ/molVScott, Berg, et al., 1960ALS
Δvap34.6kJ/molN/AJohnson, Prosen, et al., 1949DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
30.4363.9N/AMajer and Svoboda, 1985 
34.2310.AStephenson and Malanowski, 1987Based on data from 295. to 366. K.; AC
32.83 ± 0.004322.62VMcCullough, Pennington, et al., 1959ALS
32.8 ± 0.1323.CMcCullough, Pennington, et al., 1959AC
31.7 ± 0.1342.CMcCullough, Pennington, et al., 1959AC
30.4 ± 0.1364.CMcCullough, Pennington, et al., 1959AC
34.0314.N/AForziati, Norris, et al., 1949Based on data from 299. to 366. K.; AC

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
323. to 364.49.540.2812551.9Majer and Svoboda, 1985 

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
299.13 to 365.783.967671242.676-51.222Forziati, Norris, et al., 1949, 2Coefficents calculated by NIST from author's data.

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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)

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 114447

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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.

Johnson, Prosen, et al., 1949
Johnson, W.H.; Prosen, E.J.; Rossini, F.D., Heats of combustion and isomerization of the six C7H14 alkylcyclopentanes, J. Res. NBS, 1949, 42, 251-255. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Scott D.W., 1960
Scott D.W., Chemical thermodynamic properties of methylcyclopentane and 1-cis-3-dimethylcyclopentane, J. Phys. Chem., 1960, 64, 906-908. [all data]

Epstein M.B., 1949
Epstein M.B., Heats, equilibrium constants, and free energies of formation of the dimethylcyclopentanes, J. Res. Nat. Bur. Stand., 1949, 43, 245-250. [all data]

McCullough J.P., 1959
McCullough J.P., Thermodynamics of cyclopentane, methylcyclopentane and 1,cis-3-dimethylcyclopentane: verification of the concept of pseudorotation, J. Am. Chem. Soc., 1959, 81, 5880-5883. [all data]

Gross, Oliver, et al., 1953
Gross, M.E.; Oliver, G.D.; Huffman, H.M., Low temperature thermal data for some C7H14 alkylcyclopentanes, J. Am. Chem. Soc., 1953, 75, 2801. [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]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Scott, Berg, et al., 1960
Scott, D.W.; Berg, W.T.; McCullough, J.P., Chemical thermodynamic properties of methylcyclopentane and 1-cis-3-dimethylcyclopentane, J. Phys. Chem., 1960, 64, 906. [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]

McCullough, Pennington, et al., 1959
McCullough, J.P.; Pennington, R.E.; Smith, J.C.; Hossenlopp, I.A.; Waddington, G., Thermodynamics of cyclopentane, methylcyclopentane and 1,cis-3-dimethylcyclopentane: Verification of the concept of pseudorotation, J. Am. Chem. Soc., 1959, 81, 5880-5883. [all data]

Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D., Vapor pressures and boiling points of sixty API-NBS hydrocarbons, J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050 . [all data]

Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D., Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050 . [all data]


Notes

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