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Cyclopentane, ethyl-

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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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-127.1 ± 1.0kJ/molCcbProsen, Johnson, et al., 1946ALS
Deltafgas-129.4kJ/molN/AMoore, Renquist, et al., 1940Value computed using «DELTA»fHliquid° value of -165.8±1.6 kj/mol from Moore, Renquist, et al., 1940 and «DELTA»vapH° value of 36.4 kj/mol from Prosen, Johnson, et al., 1946.; DRB
Quantity Value Units Method Reference Comment
gas378.32J/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
49.4850.Thermodynamics Research Center, 1997p=1 bar. Selected values are in close agreement with those calculated by a method of increments [ Kilpatrick J.E., 1947].; GT
65.17100.
77.76150.
92.61200.
122.1273.15
133.6298.15
134.5300.
182.0400.
224.8500.
260.6600.
290.5700.
315.7800.
337.1900.
355.41000.
371.21100.
384.71200.
396.41300.
406.51400.
415.21500.
432.51750.
445.02000.
454.22250.
461.12500.
466.52750.
470.73000.

Condensed phase thermochemistry data

Go To: Top, Gas 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-163.5 ± 1.0kJ/molCcbProsen, Johnson, et al., 1946ALS
Deltafliquid-165.8 ± 1.6kJ/molCcbMoore, Renquist, et al., 1940Reanalyzed by Cox and Pilcher, 1970, Original value = -167.2 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4591.94 ± 0.92kJ/molCcbProsen, Johnson, et al., 1946Corresponding «DELTA»fliquid = -163.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4589.6 ± 1.5kJ/molCcbMoore, Renquist, et al., 1940Reanalyzed by Cox and Pilcher, 1970, Original value = -4587.6 ± 1.5 kJ/mol; Corresponding «DELTA»fliquid = -165.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid279.91J/mol*KN/AGross, Oliver, et al., 1953DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
187.61301.83Gross, Oliver, et al., 1953T = 13 to 300 K. Unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil376.6 ± 0.2KAVGN/AAverage of 26 out of 28 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus134.5 ± 0.9KAVGN/AAverage of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple134.4 ± 0.7KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tc569.5 ± 0.5KN/ADaubert, 1996 
Tc569.5KN/AMajer and Svoboda, 1985 
Tc569.45KN/AKay, 1947Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Pc34.0 ± 0.4barN/ADaubert, 1996 
Pc33.9702barN/AKay, 1947Uncertainty assigned by TRC = 0.0506 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.375l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
rhoc2.67 ± 0.04mol/lN/ADaubert, 1996 
rhoc2.67mol/lN/AKay, 1947Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap36.47kJ/molN/AMajer and Svoboda, 1985 
Deltavap36.5kJ/molN/AReid, 1972AC
Deltavap36.4kJ/molN/AProsen, Johnson, et al., 1946DRB

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
31.96376.6N/AMajer and Svoboda, 1985 
35.5323.AStephenson and Malanowski, 1987Based on data from 308. - 387. K.; AC
32.9401.AStephenson and Malanowski, 1987Based on data from 386. - 507. K.; AC
31.9514.AStephenson and Malanowski, 1987Based on data from 499. - 569. K.; AC
35.6 ± 0.1313.CSvoboda, Charvátová, et al., 1981AC
34.8 ± 0.1328.CSvoboda, Charvátová, et al., 1981AC
33.9 ± 0.1343.CSvoboda, Charvátová, et al., 1981AC
33.0 ± 0.1358.CSvoboda, Charvátová, et al., 1981AC
32.5 ± 0.1368.CSvoboda, Charvátová, et al., 1981AC
35.7317.N/AForziati, Norris, et al., 1949Based on data from 302. - 377. 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) beta Tc (K) Reference Comment
313. - 368.51.320.2716569.5Majer 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
301.93 - 377.544.022841305.001-51.755Forziati, Norris, et al., 1949, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.86134.7Domalski and Hearing, 1996AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.8693134.73crystaline, IliquidGross, Oliver, et al., 1953Form stable above 129.5 K.; DH
2.9044134.03crystaline, IIliquidGross, Oliver, et al., 1953Form stable below 129.5 K.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
50.99134.73crystaline, IliquidGross, Oliver, et al., 1953Form; DH
58.97134.03crystaline, IIliquidGross, Oliver, et al., 1953Form; DH

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

Hydrogen + 1-Ethylcyclopentene = Cyclopentane, ethyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Deltar-101.9 ± 0.63kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane
Deltar-98.3 ± 0.8kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon
Deltar-98.58 ± 0.46kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Deltar-98.58 ± 0.46kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid

Hydrogen + Cyclopentane, ethylidene- = Cyclopentane, ethyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Deltar-106.9 ± 0.4kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane
Deltar-101. ± 0.8kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon
Deltar-104.1 ± 0.50kJ/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Deltar-104.1 ± 0.50kJ/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid

Hydrogen + Vinylcyclopentane = Cyclopentane, ethyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Deltar-119. ± 0.8kJ/molChydRogers and McLafferty, 1971liquid phase; solvent: Hydrocarbon

Hydrogen + Cyclopentene, 3-ethyl- = Cyclopentane, ethyl-

By formula: H2 + C7H12 = C7H14

Quantity Value Units Method Reference Comment
Deltar-114.5 ± 0.46kJ/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane

2Hydrogen + 3-(cis-Ethylidene)-1-cyclopentene = Cyclopentane, ethyl-

By formula: 2H2 + C7H10 = C7H14

Quantity Value Units Method Reference Comment
Deltar-211. ± 0.4kJ/molChydRoth, Adamczak, et al., 1991liquid phase

3Hydrogen + 6-Methylfulvene = Cyclopentane, ethyl-

By formula: 3H2 + C7H8 = C7H14

Quantity Value Units Method Reference Comment
Deltar-312. ± 0.4kJ/molChydRoth, Adamczak, et al., 1991liquid phase

3Hydrogen + Spiro[2,4]hepta-4,6-diene = Cyclopentane, ethyl-

By formula: 3H2 + C7H8 = C7H14

Quantity Value Units Method Reference Comment
Deltar-364. ± 0.8kJ/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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-4000
NIST MS number 231044

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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.

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons, J. Res. NBS, 1946, 37, 51-56. [all data]

Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S., Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins, J. Am. Chem. Soc., 1940, 62, 1505-1507. [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]

Kilpatrick J.E., 1947
Kilpatrick J.E., Heats, equilibrium constants, and free energies of formation of the alkylcyclopentanes and alkylcyclohexanes, J. Res. Nat. Bur. Stand., 1947, 39, 523-543. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]

Daubert, 1996
Daubert, T.E., Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes, J. Chem. Eng. Data, 1996, 41, 365-372. [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]

Kay, 1947
Kay, W.B., Vapor Pressures and Saturated Liquid and Vapor DEensities of Cyclopentane, Methylcyclopentane, Ethylcyclopentane, and Methylcyclohexane, J. Am. Chem. Soc., 1947, 69, 1273-7. [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]

Svoboda, Charvátová, et al., 1981
Svoboda, Václav; Charvátová, Vladimíra; Majer, Vladimír; Pick, Jirí, Determination of heats of vaporization and some other thermodynamic quantities for four alkylcycloparaffins, Collect. Czech. Chem. Commun., 1981, 46, 12, 2983-2988, https://doi.org/10.1135/cccc19812983 . [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]

Allinger, Dodziuk, et al., 1982
Allinger, N.L.; Dodziuk, H.; Rogers, D.W.; Naik, S.N., Heats of hydrogenation and formation of some 5-membered ring compounds by molecular mechanics calculations and direct measurements, Tetrahedron, 1982, 38, 1593-1597. [all data]

Rogers and McLafferty, 1971
Rogers, D.W.; McLafferty, F.J., A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring, Tetrahedron, 1971, 27, 3765-3775. [all data]

Turner and Garner, 1958
Turner, R.B.; Garner, R.H., Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs, J. Am. Chem. Soc., 1958, 80, 1424-1430. [all data]

Turner and Garner, 1957
Turner, R.B.; Garner, R.H., Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs, J. Am. Chem. Soc., 1957, 80, 1424-1430. [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