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2-Pentene, (Z)-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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:
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
Deltafgas-28. ± 4.kJ/molAVGN/AAverage of 7 values; Individual data points

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
98.8298.15Thermodynamics 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
99.3300.
128.3400.
155.6500.
179.4600.
199.2700.
216.5800.
231.4900.
244.31000.
255.31100.
265.01200.
273.31300.
280.61400.
286.901500.

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
Deltafliquid-53.35 ± 0.42kJ/molEqkWiberg, Wasserman, et al., 1984Trifluoroacetolysis, hrxn[kcal/mol]=-10.92±0.01; ALS
Deltafliquid-53.49 ± 0.62kJ/molCcbGood and Smith, 1979ALS
Deltafliquid-55.8 ± 1.0kJ/molChydN/ADRB
Deltafliquid-60.0 ± 0.3kJ/molCmCoops, Mulder, et al., 1946DRB
Quantity Value Units Method Reference Comment
Deltacliquid-3343.21 ± 0.54kJ/molCcbGood and Smith, 1979Corresponding «DELTA»fliquid = -53.49 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-3336.7 ± 0.3kJ/molCmCoops, Mulder, et al., 1946Reanalyzed by Cox and Pilcher, 1970, Original value = -3335.3 ± 0.3 kJ/mol; Corresponding «DELTA»fliquid = -60.04 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid258.8J/mol*KN/AChao, Hall, et al., 1983DH
liquid258.61J/mol*KN/ATodd, Oliver, et al., 1947DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
151.8298.15Chao, Hall, et al., 1983T = 13 to 295 K.; DH
151.71298.15Todd, 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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil309.8 ± 0.6KAVGN/AAverage of 23 out of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus120.67KN/AHoff, Greenlee, et al., 1951Uncertainty assigned by TRC = 0.5 K; TRC
Tfus121.77KN/AHoff, Greenlee, et al., 1951Uncertainty assigned by TRC = 0.1 K; TRC
Tfus120.59KN/AHoff, Greenlee, et al., 1951Uncertainty assigned by TRC = 0.1 K; TRC
Tfus121.74KN/AStreiff, Murphy, et al., 1946Uncertainty assigned by TRC = 0.05 K; TRC
Tfus121.78KN/AStreiff, Murphy, et al., 1946Uncertainty assigned by TRC = 0.04 K; TRC
Quantity Value Units Method Reference Comment
Ttriple121.78KN/AChao, Hall, et al., 1983, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple121.80KN/ATodd, Oliver, et al., 1947, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc475. ± 1.KN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Pc36.9 ± 1.0barN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Deltavap26.8kJ/molN/AReid, 1972AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
29.8249.AStephenson and Malanowski, 1987Based on data from 234. - 318. K.; AC
28.1289.EBScott and Waddington, 1950Based on data from 274. - 341. 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
274.74 - 342.033.999841069.229-42.393Scott and Waddington, 1950Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
7.112121.78Chao, Hall, et al., 1983DH
7.1115121.80Todd, Oliver, et al., 1947DH
7.11121.8Acree, 1991AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
58.40121.78Chao, Hall, et al., 1983DH
58.39121.80Todd, 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 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

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

By formula: C5H10 = C5H10

Quantity Value Units Method Reference Comment
Deltar-4.90 ± 0.08kJ/molEqkKapteijn, Steen, et al., 1983gas phase; Between 250-823 K
Deltar-4. ± 0.63kJ/molEqkEgger and Benson, 1966gas phase; Heat of isomerization

Hydrogen + 2-Pentene, (Z)- = Pentane

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Deltar-117.7 ± 0.8kJ/molChydEgger and Benson, 1966gas phase

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

By formula: C5H11Cl = C5H10 + HCl

Quantity Value Units Method Reference Comment
Deltar65.3kJ/molEqkKaraseva and Andreevskii, 1969gas phase

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0044 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0044 LN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C5H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.01 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.94 ± 0.02PEAshmore and Burgess, 1978LLK
9.04 ± 0.02PEBieri, Burger, et al., 1977LLK
9.036 ± 0.005PEMasclet, Grosjean, et al., 1973LLK
9.23 ± 0.02EIGross and Wilkins, 1971LLK
9.11EICollin and Lossing, 1959RDSH
9.22 ± 0.01PEKrause, Taylor, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+11.54 ± 0.02C2H4EIGross and Wilkins, 1971LLK
C4H7+9.02CH3PITraeger, 1986LBLHLM
C4H7+10.62CH3PITraeger, 1986LBLHLM
C4H7+11.24 ± 0.02CH3EIGross and Wilkins, 1971LLK

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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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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-3263
NIST MS number 230823

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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]

Hoff, Greenlee, et al., 1951
Hoff, M.C.; Greenlee, K.W.; Boord, C.E., The Quantitavitve Inversion of cis- and trans-Alkene Isomers: A New Synthesis of Normal cis-Alkenes, J. Am. Chem. Soc., 1951, 73, 3329-36. [all data]

Streiff, Murphy, et al., 1946
Streiff, A.J.; Murphy, E.T.; Sedlak, V.A.; Willingham, C.B.; Rossini, F.D., Purification, Purity, and Freezing Points of 7 Heptanes, 16 Octanes, 6 Pentene, Cyclopentene, and 7 C9H12 Alkylbenzenes of the API-Standard and API-NBS Series, J. Res. Natl. Bur. Stand. (U. S.), 1946, 37, 331. [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]

Tsonopoulos and Ambrose, 1996
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons, J. Chem. Eng. Data, 1996, 41, 645-656. [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]

Ashmore and Burgess, 1978
Ashmore, F.S.; Burgess, A.R., Photoelectron spectra of the unbranched C5-C7 alkenes, aldehydes and ketones, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 734. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Gross and Wilkins, 1971
Gross, M.L.; Wilkins, C.L., Computer-assisted ion cyclotron resonance appearance potential measurements for C5H10 isomers, Anal. Chem., 1971, 43, 1624. [all data]

Collin and Lossing, 1959
Collin, J.; Lossing, F.P., Ionization potentials of some olefins, di-olefins and branched paraffins, J. Am. Chem. Soc., 1959, 81, 2064. [all data]

Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F., An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes, J. Am. Chem. Soc., 1978, 100, 718. [all data]

Traeger, 1986
Traeger, J.C., Heat of formation for the 1-methylallyl cation by photoionization mass spectrometry, J. Phys. Chem., 1986, 90, 4114. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References