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Cyclopentane, 1,1-dimethyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 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
Deltafgas-138.3 ± 1.2kJ/molCmJohnson, Prosen, et al., 1949ALS
Quantity Value Units Method Reference Comment
gas359.28J/mol*KN/AStull D.R., 1969This value was obtained using low temperature data of [ Gross M.E., 1953].; GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
44.3550.Thermodynamics Research Center, 1997p=1 bar. Recommended values are in close agreement with those calculated by a method of increments [ Epstein M.B., 1949] at low temperatures. Discrepancies increase up to 2-4 J/mol*K at T=1500 K.; GT
57.03100.
73.27150.
90.66200.
121.5273.15
133.3298.15
134.2300.
182.2400.
225.3500.
261.3600.
291.3700.
316.4800.
337.8900.
356.11000.
371.71100.
385.21200.
396.81300.
406.91400.
415.61500.
432.81750.
445.22000.
454.32250.
461.32500.
466.62750.
470.83000.

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
Deltafliquid-172.1 ± 1.1kJ/molCmJohnson, Prosen, et al., 1949ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4583.3 ± 1.0kJ/molCmJohnson, Prosen, et al., 1949Corresponding «DELTA»fliquid = -172.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid265.01J/mol*KN/AGross, Oliver, et al., 1953DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
187.36299.81Gross, Oliver, et al., 1953T = 13 to 300 K. Unsmoothed experimental datum.; 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:
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
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil360.9 ± 0.7KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus201. ± 6.KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple203.68KN/AGross, Oliver, et al., 1953, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; by adiabatic calorimeter; TRC
Ttriple203.670KN/AHuffman, 1948Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple203.670KN/AHuffman, 1947Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC
Ttriple203.670KN/AHuffman, 1947Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap33.8kJ/molN/AReid, 1972AC
Deltavap33.8kJ/molN/AJohnson, Prosen, et al., 1949DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
34.0299.AStephenson and Malanowski, 1987Based on data from 284. - 363. K.; AC
33.8304.N/AForziati, Norris, et al., 1949Based on data from 289. - 362. K.; AC

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
288.7 - 361.893.95471226.557-50.393Forziati, Norris, et al., 1949, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
1.09203.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
44.18146.8Domalski and Hearing, 1996CAL
5.34203.7

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.4894146.80crystaline, IIcrystaline, IGross, Oliver, et al., 1953DH
1.0786203.68crystaline, IliquidGross, Oliver, et al., 1953DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
44.21146.80crystaline, IIcrystaline, IGross, Oliver, et al., 1953DH
5.30203.68crystaline, IliquidGross, Oliver, et al., 1953DH

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:


Reaction thermochemistry data

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2Hydrogen + 5,5-Dimethylbicyclo[2.1.0]pent-2-ene = Cyclopentane, 1,1-dimethyl-

By formula: 2H2 + C7H10 = C7H14

Quantity Value Units Method Reference Comment
Deltar-406. ± 0.8kJ/molChydRoth, Klarner, et al., 1980liquid phase; solvent: Cyclohexane

2Hydrogen + 1,3-Cyclopentadiene, 5,5-dimethyl- = Cyclopentane, 1,1-dimethyl-

By formula: 2H2 + C7H10 = C7H14

Quantity Value Units Method Reference Comment
Deltar-225. ± 0.4kJ/molChydRoth, Klarner, et al., 1980liquid phase; solvent: Cyclohexane

Hydrogen + 5,5-Dimethylbicyclo[2.2.0]pentane = Cyclopentane, 1,1-dimethyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Deltar-230. ± 0.4kJ/molChydRoth, Klarner, et al., 1980liquid phase; solvent: Cyclohexane

2Hydrogen + Spiro[cyclopropane(1,5')bicyclo[2.1.0]pentane] = Cyclopentane, 1,1-dimethyl-

By formula: 2H2 + C7H10 = C7H14

Quantity Value Units Method Reference Comment
Deltar-427. ± 1.kJ/molChydRoth, Adamczak, et al., 1991liquid phase

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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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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.
NIST MS number 935

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References

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

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]

Stull D.R., 1969
Stull D.R., Jr., The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]

Gross M.E., 1953
Gross M.E., Low-temperature thermal data for some C7H14 alkylcyclopentanes, J. Am. Chem. Soc., 1953, 75, 2801-2804. [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]

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]

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, 2801-2804. [all data]

Gross, Oliver, et al., 1953, 2
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]

Huffman, 1948
Huffman, H.M., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, 1948. [all data]

Huffman, 1947
Huffman, H.M., Personal Communication, U. S. Bur. Mines, Bartlesville, OK, 1947. [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]

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]

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]

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]

Roth, Klarner, et al., 1980
Roth, W.R.; Klarner, F.-G.; Lennartz, H.-W., Heats of hydrogenation. II. Heat of hydrogenation of bicyclo[2.1.0]pent-2-ene, an antiaromatic system, Chem. Ber., 1980, 113, 1806-1818. [all data]

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]


Notes

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