1-Pentene

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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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-5. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
19.68200.Thermodynamics 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. The results of the similar estimation [ Kilpatrick J.E., 1946] are in poor agreement with experiment.; GT
24.19273.15
25.86298.15
25.98300.
32.89400.
39.20500.
44.53600.
49.02700.
52.82800.
56.07900.
58.841000.
61.281100.
63.361200.
65.201300.
66.731400.
68.211500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
26.850 ± 0.079311.09Scott D.W., 1949GT
30.151 ± 0.091357.51
33.24 ± 0.10402.32
35.47 ± 0.11436.01
37.69 ± 0.11471.08

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
Tboil304. ± 8.KAVGN/AAverage of 30 out of 31 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus107.75KN/AStreiff, Murphy, et al., 1946Uncertainty assigned by TRC = 0.2 K; TRC
Tfus107.78KN/AStreiff, Murphy, et al., 1946Uncertainty assigned by TRC = 0.2 K; TRC
Tfus107.88KN/AStreiff, Murphy, et al., 1946Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple108.010KN/AMesserly, Todd, et al., 1990Crystal phase 1 phase; Uncertainty assigned by TRC = 0.003 K; TRC
Ttriple107.790KN/AMesserly, Todd, et al., 1990Metastable crystal phase; Uncertainty assigned by TRC = 0.003 K; TRC
Ttriple5.800KN/AChao, Hall, et al., 1983Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple107.9KN/ATodd, Oliver, et al., 1947Uncertainty assigned by TRC = 0.5 K; this value not measured but taken from 1956-strmur 0; TRC
Quantity Value Units Method Reference Comment
Tc464.8 ± 0.5KN/ATsonopoulos and Ambrose, 1996 
Tc464.7KN/AMajer and Svoboda, 1985 
Tc465.1KN/AWolfe, Kay, et al., 1983Uncertainty assigned by TRC = 0.3 K; $ %Y/SI 0.01 @Y/SI 0.3; TRC
Tc463.77KN/AMousa, Kay, et al., 1972Uncertainty assigned by TRC = 0.2 K; TRC
Tc464.74KN/AAmbrose, Cox, et al., 1960Uncertainty assigned by TRC = 0.03 K; Visual, PRT, IPTS-48; TRC
Quantity Value Units Method Reference Comment
Pc35.1 ± 0.5atmN/ATsonopoulos and Ambrose, 1996 
Pc35.04atmN/AWolfe, Kay, et al., 1983Uncertainty assigned by TRC = 0.20 atm; $ %Y/SI 1.5 @Y/SI 20.; TRC
Pc35.046atmN/AMousa, Kay, et al., 1972Uncertainty assigned by TRC = 0.0340 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.2984l/molN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
ρc3.35 ± 0.05mol/lN/ATsonopoulos and Ambrose, 1996 
ρc3.32mol/lN/AWolfe, Kay, et al., 1983Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap7.127kcal/molN/AMajer and Svoboda, 1985 
Δvap6.09kcal/molN/AReid, 1972AC
Δvap6.09 ± 0.02kcal/molCScott, Waddington, et al., 1949AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.02303.1N/AMajer and Svoboda, 1985 
6.96233.AStephenson and Malanowski, 1987Based on data from 218. to 311. K.; AC
6.38295.MMForziati, Camin, et al., 1950Based on data from 286. to 304. K.; AC
6.43288.N/AScott, Waddington, et al., 1949Based on data from 273. to 334. K.; AC
6.26 ± 0.02284.CScott, Waddington, et al., 1949AC
6.02 ± 0.02303.CScott, Waddington, et al., 1949AC
6.29290.N/ADay, Nicholson, et al., 1948Based on data from 273. to 308. K.; AC
6.14341.N/ADay, Nicholson, et al., 1948Based on data from 313. to 368. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
284. to 303.9.4910.2663464.7Majer and Svoboda, 1985 

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
285.98 to 303.873.904871014.294-43.367Forziati, Camin, et al., 1950, 2

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.41907108.016Messerly, Todd, et al., 1990, 2DH
1.40576107.797Messerly, Todd, et al., 1990, 2c(metastable)/liq; DH
1.388107.90Chao, Hall, et al., 1983, 2DH
1.388107.9Todd, Oliver, et al., 1947, 2DH
1.39107.9Acree, 1991See also Messerly, Todd, et al., 1990, 2.; AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
13.14108.016Messerly, Todd, et al., 1990, 2DH
13.04107.797Messerly, Todd, et al., 1990, 2c(metastable)/liq; DH
12.86107.90Chao, Hall, et al., 1983, 2DH
12.86107.9Todd, Oliver, et al., 1947, 2DH

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
71.7crystalineglassTakeda, Oguni, et al., 1990DH

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:


Gas phase ion energetics data

Go To: Top, Gas 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 evaluated as indicated in comments:
L - Sharon G. Lias

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

View reactions leading to C5H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.49 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.50PITraeger, 1986LBLHLM
9.52 ± 0.05EIHolmes and Lossing, 1983LBLHLM
9.42 ± 0.02PEAshmore and Burgess, 1978LLK
9.52 ± 0.02PEBieri, Burger, et al., 1977LLK
9.524 ± 0.003PEMasclet, Grosjean, et al., 1973LLK
9.48EILossing, 1972LLK
9.82 ± 0.06EIGross and Wilkins, 1971LLK
9.50 ± 0.02PIWatanabe, Nakayama, et al., 1962RDSH
9.50 ± 0.02PISteiner, Giese, et al., 1961RDSH
9.68 ± 0.01PEKrause, Taylor, et al., 1978Vertical value; LLK
9.54 ± 0.02PEBunzli, Burak, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+10.68 ± 0.02C2H4PIBrand and Baer, 1984LBLHLM
C3H6+11.61 ± 0.08C2H4EIGross and Wilkins, 1971LLK
C4H7+10.50CH3PITraeger, 1986LBLHLM
C4H7+10.64CH3EIBrand and Baer, 1984LBLHLM
C4H7+10.63 ± 0.02CH3PIBrand and Baer, 1984LBLHLM
C4H7+10.64CH3EILossing, 1972LLK
C4H7+11.35 ± 0.07CH3EIGross and Wilkins, 1971LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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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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-2716
NIST MS number 230821

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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.

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]

Scott D.W., 1949
Scott D.W., Thermodynamic properties of three isomeric pentenes, J. Am. Chem. Soc., 1949, 71, 2767-2773. [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]

Messerly, Todd, et al., 1990
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Lee-Bechtold, S.H.; Guthrie, G.B.; Steele, W.V.; Chirico, R.D., Heat capacities of pent-1-ene (10 K to 320 K), cis-hex-2-ene (10 K to 330 K), non-1-ene (10 K to 400 K) and hexadec-1-ene (10 K to 400 K), J. Chem. Thermodyn., 1990, 22, 1107-28. [all data]

Chao, Hall, et al., 1983
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
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]

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]

Wolfe, Kay, et al., 1983
Wolfe, D.; Kay, W.B.; Teja, A.S., Phase Equilibria in the n-Pentane + Pent-1-ene System 1. Critical States, J. Chem. Eng. Data, 1983, 28, 319. [all data]

Mousa, Kay, et al., 1972
Mousa, A.H.N.; Kay, W.B.; Kreglewski, A., The critical constants of binary mixtures of certain perfluoro-compounds with alkanes, J. Chem. Thermodyn., 1972, 4, 301-11. [all data]

Ambrose, Cox, et al., 1960
Ambrose, D.; Cox, J.D.; Townsend, R., The critical temperatures of forty organic compounds, Trans. Faraday Soc., 1960, 56, 1452. [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, Waddington, et al., 1949
Scott, D.W.; Waddington, G.; Smith, J.C.; Huffman, H.M., Thermodynamic properties of three isomeric pentenes, J. Am. Chem. Soc., 1949, 71, 2767-2773. [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, Camin, et al., 1950
Forziati, A.F.; Camin, D.L.; Rossini, F.D., Density, refractive index, boiling point, and vapor pressure of eight monoolefin (1-alkene), six pentadiene, and two cyclomonoolefin hydrocarbons, J. RES. NATL. BUR. STAN., 1950, 45, 5, 406, https://doi.org/10.6028/jres.045.044 . [all data]

Day, Nicholson, et al., 1948
Day, H.O.; Nicholson, D.E.; Felsing, W.A., The Vapor Pressures and Some Related Quantities of Pentene-1 from 0 to 200°, J. Am. Chem. Soc., 1948, 70, 5, 1784-1785, https://doi.org/10.1021/ja01185a037 . [all data]

Forziati, Camin, et al., 1950, 2
Forziati, a.F.; Camin, D.L.; Rossini, F.D., Density, refractive index, boiling point, and vapor pressure of eight monoolefin (1-alkene), six pentadiene, and two cyclomonoolefin hydrocarbons, J. Res. NBS, 1950, 45, 406-410. [all data]

Messerly, Todd, et al., 1990, 2
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Lee-Bechtold, S.H.; Guthrie, G.B.; Steele, W.V.; Chirico, R.D., Heat capacities of pent-1-ene (10K to 320K), cis-hex-2-ene (10K to 330K), non-1-ene (10K to 400K), and hexadec-1-ene (10K to 400K), J. Chem. Thermodynam., 1990, 22, 1107-1128. [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(3), 285-303. [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, 1519-1525. [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]

Takeda, Oguni, et al., 1990
Takeda, K.; Oguni, M.; Suga, H., A DTA apparatus for vapour-deposited samples. Characterisation of some vapour-deposited hydrocarbons, Thermochim. Acta, 1990, 158(1), 195-203. [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]

Holmes and Lossing, 1983
Holmes, J.L.; Lossing, F.P., The need for adequate thermochemical data for the interpretation of fragmentation mechanisms and ion structure assignments, Int. J. Mass Spectrom. Ion Phys., 1983, 47, 133. [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]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions, Can. J. Chem., 1972, 50, 3973. [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]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [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]

Bunzli, Burak, et al., 1973
Bunzli, J.C.; Burak, A.J.; Frost, D.C., Through-space interaction in non-conjugated acyclic dienes studied by photoelectron spectroscopy, Tetrahedron, 1973, 29, 3735. [all data]

Brand and Baer, 1984
Brand, W.A.; Baer, T., Dissociation dynamics of energy-selected C5H10+ ions, J. Am. Chem. Soc., 1984, 106, 3154. [all data]


Notes

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