2-Pentene, (E)-

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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:
DRB - Donald R. Burgess, Jr.
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-7.7 ± 0.4kcal/molAVGN/AAverage of 7 values; Individual data points

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
26.03298.15Thermodynamics Research Center, 1997p=1 bar. Recommended values were calculated from data for lower alkenes by a method of increments. These values are in good agreement with experimental data (see also [ Kilpatrick J.E., 1946]).; GT
26.15300.
32.65400.
38.72500.
44.02600.
48.61700.
52.58800.
56.00900.
58.991000.
61.571100.
63.811200.
65.771300.
67.451400.
68.9291500.

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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-13.92 ± 0.10kcal/molEqkWiberg, Wasserman, et al., 1984Trifluoroacetolysis; ALS
Δfliquid-13.86 ± 0.18kcal/molCcbGood and Smith, 1979ALS
Δfliquid-14.3 ± 0.24kcal/molChydN/ADRB
Δfliquid-14.5 ± 0.1kcal/molCmCoops, Mulder, et al., 1946DRB
Quantity Value Units Method Reference Comment
Δcliquid-797.97 ± 0.17kcal/molCcbGood and Smith, 1979Corresponding Δfliquid = -13.86 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-797.30 ± 0.10kcal/molCmCoops, Mulder, et al., 1946Reanalyzed by Cox and Pilcher, 1970, Original value = -796.98 ± 0.02 kcal/mol; Corresponding Δfliquid = -14.53 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid61.33cal/mol*KN/AChao, Hall, et al., 1983DH
liquid61.310cal/mol*KN/ATodd, Oliver, et al., 1947DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
37.52298.15Chao, Hall, et al., 1983T = 12 to 302 K.; DH
37.519298.15Todd, Oliver, et al., 1947T = 12 to 300 K.; 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil309.4 ± 0.5KAVGN/AAverage of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus132.8 ± 0.6KAVGN/AAverage of 10 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple132.93KN/AChao, Hall, et al., 1983, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple132.95KN/ATodd, Oliver, et al., 1947, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple132.950KN/AHuffman, 1945Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Δvap6.38kcal/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.88266.AStephenson and Malanowski, 1987Based on data from 251. to 341. K.; AC
6.7289.EBScott and Waddington, 1950Based on data from 274. to 341. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
274.18 to 341.364.025181084.165-40.158Scott and Waddington, 1950Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.996132.93Chao, Hall, et al., 1983DH
1.996132.95Todd, Oliver, et al., 1947DH
2.00133.Acree, 1991AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
15.02132.93Chao, Hall, et al., 1983DH
15.01132.95Todd, Oliver, et al., 1947DH

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

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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
RCD - Robert C. Dunbar

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

2-Pentene, (Z)- = 2-Pentene, (E)-

By formula: C5H10 = C5H10

Quantity Value Units Method Reference Comment
Δr-1.17 ± 0.02kcal/molEqkKapteijn, Steen, et al., 1983gas phase; Between 250-823 K; ALS
Δr-0.9 ± 0.15kcal/molEqkEgger and Benson, 1966gas phase; Heat of isomerization; ALS

2-Pentene, (E)- = 1-Pentene

By formula: C5H10 = C5H10

Quantity Value Units Method Reference Comment
Δr-2.6 ± 0.2kcal/molEqkEgger and Benson, 1966gas phase; Heat of Isomerization; ALS

Hydrogen + 2-Pentene, (E)- = Pentane

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Δr-27.2 ± 0.2kcal/molChydEgger and Benson, 1966gas phase; ALS

Pentane, 2-chloro- = 2-Pentene, (E)- + Hydrogen chloride

By formula: C5H11Cl = C5H10 + HCl

Quantity Value Units Method Reference Comment
Δr14.9kcal/molEqkKaraseva and Andreevskii, 1969gas phase; ALS

Silver ion (1+) + 2-Pentene, (E)- = (Silver ion (1+) • 2-Pentene, (E)-)

By formula: Ag+ + C5H10 = (Ag+ • C5H10)

Quantity Value Units Method Reference Comment
Δr37.8 ± 4.5kcal/molRAKHo, Yang, et al., 1997RCD

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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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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-4646
NIST MS number 231217

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References

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

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., 1946
Kilpatrick J.E., Heats, equilibrium constants, and free energies of formation of the monoolefin hydrocarbons, J. Res. Nat. Bur. Stand, 1946, 36, 559-612. [all data]

Wiberg, Wasserman, et al., 1984
Wiberg, K.B.; Wasserman, D.J.; Martin, E., Enthalpies of hydration of alkenes. 2. The n-heptenes and n-pentenes, J. Phys. Chem., 1984, 88, 3684-3688. [all data]

Good and Smith, 1979
Good, W.D.; Smith, N.K., The enthalpies of combustion of the isomeric pentenes in the liquid state. A warning to combustion calorimetrists about sample drying, J. Chem. Thermodyn., 1979, 11, 111-118. [all data]

Coops, Mulder, et al., 1946
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J., The heats of combustion of a number of hydrocarbons, Rec. Trav. Chim. Pays/Bas, 1946, 65, 128. [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]

Chao, Hall, et al., 1983
Chao, J.; Hall, K.R.; Yao, J.M., Thermodynamic properties of simple alkenes, Thermochim. Acta, 1983, 64(3), 285-303. [all data]

Todd, Oliver, et al., 1947
Todd, S.S.; Oliver, G.D.; Huffman, H.M., The heat capacities, heats of fusion and entropies of the six pentenes, J. Am. Chem. Soc., 1947, 69, 1519-1525. [all data]

Chao, Hall, et al., 1983, 2
Chao, J.; Hall, K.R.; Yao, J.M., Thermodynamic Properties of Simple Alkenes, Thermochim. Acta, 1983, 64, 285. [all data]

Todd, Oliver, et al., 1947, 2
Todd, S.S.; Oliver, G.D.; Huffman, H.M., The heat capacities, heats of fusion and entropies of the six pentenes., J. Am. Chem. Soc., 1947, 69, 1519. [all data]

Huffman, 1945
Huffman, H.M., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, July 25, 1945. [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]

Scott and Waddington, 1950
Scott, Donald W.; Waddington, Guy, Vapor Pressure of cis-2-Pentene, trans-2-Pentene and 3-Methyl-1-butene, J. Am. Chem. Soc., 1950, 72, 9, 4310-4311, https://doi.org/10.1021/ja01165a542 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Kapteijn, Steen, et al., 1983
Kapteijn, F.; Steen, A.J.; Mol, J.C., Thermodynamics of the geometrical isomerization of 2-butene and 2-pentene, J. Chem. Thermodyn., 1983, 15, 137-146. [all data]

Egger and Benson, 1966
Egger, K.W.; Benson, S.W., Nitric oxide and iodine catalyzed isomerization of olefins. VI. Thermodynamic data from equilibrium studies of the geometrical and positional isomerization of n-pentenes, J. Am. Chem. Soc., 1966, 88, 236-240. [all data]

Karaseva and Andreevskii, 1969
Karaseva, S.Ya.; Andreevskii, D.N., Equilibrium in the isomerisation of secondary monochloropentanes and the dehydrochlorination of 2-chloropentane, Russ. J. Phys. Chem. (Engl. Transl.), 1969, 43, 1236-1238. [all data]

Ho, Yang, et al., 1997
Ho, Y.-P.; Yang, Y.-C.; Klippenstein, S.J.; Dunbar, R.C., Binding Energies of Ag+ and Cd+ Complexes from Analysis of Radiative Association Kinetics, J. Phys. Chem. A, 1997, 101, 18, 3338, https://doi.org/10.1021/jp9637284 . [all data]


Notes

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