1,3-Butadiene

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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:
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
Δfgas26.00 ± 0.19kcal/molCmProsen, Maron, et al., 1951ALS
Δfgas26.75 ± 0.23kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcgas-607.16 ± 0.18kcal/molCmProsen, Maron, et al., 1951Corresponding Δfgas = 26.01 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.38750.Thermodynamics Research Center, 1997p=1 bar. Recommended values are in excellent agreement with experiment and other statistically calculated values [ Sverdlov L.M., 1962, Compton D.A.C., 1976]. Discrepancies with earlier calculations [ Aston J.D., 1946] and [ Godnev I., 1947] amount to 4.7 and 2.7 J/mol*K, respectively, in S(T) and 3.6 and 2.4 J/mol*K in Cp(T).; GT
9.873100.
11.54150.
13.66200.
17.61273.15
19.08298.15
19.18300.
24.723400.
29.180500.
32.627600.
35.382700.
37.684800.
39.656900.
41.3721000.
42.8681100.
44.1781200.
45.3251300.
46.3311400.
47.2131500.

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
Δfliquid21.63 ± 0.23kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcliquid-602.79 ± 0.23kcal/molCcbProsen and Rossini, 1945Corresponding Δfliquid = 21.64 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid47.562cal/mol*KN/AScott, Meyers, et al., 1945At vapor pressure of 2105 Torr.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
29.553298.15Scott, Meyers, et al., 1945T = 15 to 303 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
Tboil268.6 ± 0.3KAVGN/AAverage of 10 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus164.3 ± 0.2KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple164.24KN/AScott, Meyers, et al., 1945Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc425. ± 1.KN/ATsonopoulos and Ambrose, 1996 
Tc425.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Pc42.6 ± 0.99atmN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Vc0.221l/molN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
ρc4.53 ± 0.10mol/lN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Δvap5.131kcal/molN/AMajer and Svoboda, 1985 
Δvap5.04kcal/molN/AReid, 1972See also Prosen and Rossini, 1945, 2.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.370268.7N/AMajer and Svoboda, 1985 
0.01946273.15N/AScott, Meyers, et al., 1945P = 119.95 kPa; DH
5.5285.AStephenson and Malanowski, 1987Based on data from 270. to 318. K.; AC
6.14203.AStephenson and Malanowski, 1987Based on data from 193. to 213. K.; AC
5.64261.AStephenson and Malanowski, 1987Based on data from 213. to 276. K.; AC
5.35330.AStephenson and Malanowski, 1987Based on data from 315. to 382. K.; AC
5.47395.AStephenson and Malanowski, 1987Based on data from 380. to 425. K.; AC
5.66256.N/ABoublik, Fried, et al., 1984Based on data from 198. to 271. K. See also Heisig, 1933.; AC
5.90235.N/AVaughan, 1932Based on data from 191. to 249. K. See also Boublik, Fried, et al., 1984.; 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
247. to 296.8.3290.2687425.Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
67.075273.15Scott, Meyers, et al., 1945P; DH

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
197.7 to 271.73.99227941.662-32.753Heisig, 1933Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.9082164.24Scott, Meyers, et al., 1945DH
1.91164.2Acree, 1991AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
11.62164.24Scott, Meyers, et al., 1945DH

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
B - John E. Bartmess
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

1,3-Butadiene + 2Hydrogen = Butane

By formula: C4H6 + 2H2 = C4H10

Quantity Value Units Method Reference Comment
Δr-56.57 ± 0.10kcal/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -57.1 ± 0.1 kcal/mol; At 355 °K; ALS

C4H5- + Hydrogen cation = 1,3-Butadiene

By formula: C4H5- + H+ = C4H6

Quantity Value Units Method Reference Comment
Δr399.5 ± 3.1kcal/molG+TSDevisser, Dekoning, et al., 1995gas phase; B
Quantity Value Units Method Reference Comment
Δr391.3 ± 3.0kcal/molIMRBDevisser, Dekoning, et al., 1995gas phase; B

Sodium ion (1+) + 1,3-Butadiene = (Sodium ion (1+) • 1,3-Butadiene)

By formula: Na+ + C4H6 = (Na+ • C4H6)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.3298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(CAS Reg. No. 88032-19-3 • 42949672951,3-Butadiene) + 1,3-Butadiene = CAS Reg. No. 88032-19-3

By formula: (CAS Reg. No. 88032-19-3 • 4294967295C4H6) + C4H6 = CAS Reg. No. 88032-19-3

Quantity Value Units Method Reference Comment
Δr14.7 ± 2.1kcal/molN/ADePuy, Gronert, et al., 1989gas phase; B

1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro- = 1,3-Butadiene + Maleic anhydride

By formula: C8H8O3 = C4H6 + C4H2O3

Quantity Value Units Method Reference Comment
Δr67.79 ± 0.23kcal/molCmGhitau, Ciopec, et al., 1983solid phase; At 65 to 90°C; ALS

1,3-Butadiene + Sulfur dioxide = 2,3-Dihydrothiophene 1,1-dioxide

By formula: C4H6 + O2S = C4H6O2S

Quantity Value Units Method Reference Comment
Δr-17.9kcal/molEqkMackle and McNally, 1969gas phase; ALS

1,3-Butadiene + Maleic anhydride = 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-

By formula: C4H6 + C4H2O3 = C8H8O3

Quantity Value Units Method Reference Comment
Δr-67.788kcal/molCmGhitau, Ciopec, et al., 1983liquid phase; ALS

1,3-Butadiene + Sulfur dioxide = 2,5-Dihydrothiophene sulfone

By formula: C4H6 + O2S = C4H6O2S

Quantity Value Units Method Reference Comment
Δr-16.5kcal/molEqkMackle and McNally, 1969gas phase; ALS

1,2-Butadiene = 1,3-Butadiene

By formula: C4H6 = C4H6

Quantity Value Units Method Reference Comment
Δr12.78 ± 0.16kcal/molCcbProsen, Maron, et al., 1949gas phase; ALS

Gold ion (1+) + 1,3-Butadiene = (Gold ion (1+) • 1,3-Butadiene)

By formula: Au+ + C4H6 = (Au+ • C4H6)

Quantity Value Units Method Reference Comment
Δr>75.kcal/molIMRBSchroeder, Hrusak, et al., 1995RCD

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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 C4H6+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.072 ± 0.007eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)187.2kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity181.1kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.082 ± 0.004SMallard, Miller, et al., 1983LBLHLM
9.07PEMasclet, Mouvier, et al., 1981LLK
9.09PEKimura, Katsumata, et al., 1981LLK
9.03EIDannacher, Flamme, et al., 1980LLK
9.03PEBieri and Asbrink, 1980LLK
9.03 ± 0.02PEBieri, Burger, et al., 1977LLK
9.0691SMcDiarmid, 1976LLK
9.06PEBrundle and Robin, 1970RDSH
9.06 ± 0.02PIMatthews and Warneck, 1969RDSH
9.09 ± 0.05PEEland, 1969RDSH
9.07 ± 0.02PIParr and Elder, 1968RDSH
9.07PEDewar and Worley, 1968RDSH
~9.2DERDewar and Worley, 1968RDSH
9.18 ± 0.04EIBock and Seidl, 1968RDSH
9.09 ± 0.03EIFranklin and Mogenis, 1967RDSH
9.075 ± 0.005PIBrehm, 1966RDSH
9.07 ± 0.01PIWatanabe, 1954RDSH
9.06 ± 0.01SPrice and Walsh, 1940RDSH
9.03PESchmidt, Schweig, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H2+15.4 ± 0.1?EIDannacher, Flamme, et al., 1980LLK
C2H2+16.5 ± 0.1?EIFranklin and Mogenis, 1967RDSH
C2H3+15.1 ± 0.1?EIDannacher, Flamme, et al., 1980LLK
C2H3+15.7 ± 0.2?EIFranklin and Mogenis, 1967RDSH
C2H4+12.6 ± 0.1C2H2EIDannacher, Flamme, et al., 1980LLK
C2H4+12.5 ± 0.1C2H2PIBrehm, 1966RDSH
C3H+12.44?EIField, Franklin, et al., 1957RDSH
C3H3+11.3 ± 0.1CH3EIDannacher, Flamme, et al., 1980LLK
C3H3+11.39 ± 0.03CH3PIMatthews and Warneck, 1969RDSH
C3H3+11.40 ± 0.02CH3PIParr and Elder, 1968RDSH
C3H3+11.35 ± 0.05CH3PIBrehm, 1966RDSH
C4H+15.752H2+HEIField, Franklin, et al., 1957RDSH
C4H2+16.87 ± 0.05?EIFranklin and Mogenis, 1967RDSH
C4H3+14.9 ± 0.1H3EIDannacher, Flamme, et al., 1980LLK
C4H3+16.25 ± 0.05H2+HEIFranklin and Mogenis, 1967RDSH
C4H4+13.0 ± 0.1H2EIDannacher, Flamme, et al., 1980LLK
C4H4+13.84 ± 0.07H2EIFranklin and Mogenis, 1967RDSH
C4H5+11.4 ± 0.1HPIDannacher, Flamme, et al., 1980LLK
C4H5+11.56 ± 0.04HPIParr and Elder, 1968RDSH
C4H5+11.39 ± 0.05HPIBrehm, 1966RDSH

De-protonation reactions

C4H5- + Hydrogen cation = 1,3-Butadiene

By formula: C4H5- + H+ = C4H6

Quantity Value Units Method Reference Comment
Δr399.5 ± 3.1kcal/molG+TSDevisser, Dekoning, et al., 1995gas phase; B
Quantity Value Units Method Reference Comment
Δr391.3 ± 3.0kcal/molIMRBDevisser, Dekoning, et al., 1995gas phase; B

Ion clustering data

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Gold ion (1+) + 1,3-Butadiene = (Gold ion (1+) • 1,3-Butadiene)

By formula: Au+ + C4H6 = (Au+ • C4H6)

Quantity Value Units Method Reference Comment
Δr>75.kcal/molIMRBSchroeder, Hrusak, et al., 1995 

Sodium ion (1+) + 1,3-Butadiene = (Sodium ion (1+) • 1,3-Butadiene)

By formula: Na+ + C4H6 = (Na+ • C4H6)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.3298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Prosen, Maron, et al., 1951
Prosen, E.J.; Maron, F.W.; Rossini, F.D., Heats of combustion, formation, and insomerization of ten C4 hydrocarbons, J. Res. NBS, 1951, 46, 106-112. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of formation and combustion of 1,3-butadiene and styrene, J. Res. NBS, 1945, 34, 59-63. [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]

Sverdlov L.M., 1962
Sverdlov L.M., Calculation of thermodynamic functions of gaseous 1,3-butadiene from spectroscopic data, Zh. Fiz. Khim., 1962, 36, 2765-2767. [all data]

Compton D.A.C., 1976
Compton D.A.C., Conformations of conjugated hydrocarbons. Part 1. A spectroscopic and thermodynamic study of buta-1,3-diene and 2-methylbuta-1,3-diene, J. Chem. Soc. Perkin Trans. 2, 1976, 1666-1671. [all data]

Aston J.D., 1946
Aston J.D., Thermodynamic properties of gaseous 1,3-butadiene and normal butenes above 25 C. Equilibria in the system 1,3-butadiene, n-butenes, and n-butane, J. Chem. Phys., 1946, 14, 67-79. [all data]

Godnev I., 1947
Godnev I., Thermodynamic functions of divinyl and equilibrium constant of formation of divinyl from alcohol, Zh. Fiz. Khim., 1947, 21, 799-809. [all data]

Scott, Meyers, et al., 1945
Scott, R.B.; Meyers, C.H.; Rands, R.D., Jr.; Brickwedde, F.G.; Bekkedahl, N., Thermodynamic properties of 1,3-butadiene in the solid, liquid, and vapor states, J. Res. NBS, 1945, 35, 39-85. [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]

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]

Prosen and Rossini, 1945, 2
Prosen, E.J.; Rossini, F.D., Heats of formation and combustion of 1,3-butadiene and styrene, J. RES. NATL. BUR. STAN., 1945, 34, 1, 59-17, https://doi.org/10.6028/jres.034.031 . [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]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Heisig, 1933
Heisig, G.B., Action of Radon on Some Unsaturated Hydrocarbons. III. Vinylacetylene and Butadiene, J. Am. Chem. Soc., 1933, 55, 6, 2304-2311, https://doi.org/10.1021/ja01333a015 . [all data]

Vaughan, 1932
Vaughan, William E., THE HOMOGENEOUS THERMAL POLYMERIZATION OF 1,3-BUTADIENE, J. Am. Chem. Soc., 1932, 54, 10, 3863-3876, https://doi.org/10.1021/ja01349a008 . [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]

Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene, J. Am. Chem. Soc., 1936, 58, 146-153. [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]

Devisser, Dekoning, et al., 1995
Devisser, S.P.; Dekoning, L.J.; Vanderhart, W.J.; Nibbering, N.M.M., Chemical properties of butadienyl anions in the gas-phase, Recl. Trav. Chim. Pays-Bas, 1995, 114, 6, 267, https://doi.org/10.1002/recl.19951140603 . [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Ghitau, Ciopec, et al., 1983
Ghitau, M.; Ciopec, M.; Pintea, O., Study on Diels-Alder reaction for the synthesis of tetrahydrophthalic anhydride, Rev. Chim. (Bucharest), 1983, 34, 299-305. [all data]

Mackle and McNally, 1969
Mackle, H.; McNally, D.V., Studies in the thermochemistry of sulphones. Part 9 - Thermochemistry of the butadiene and isoprene sulphones, Trans. Faraday Soc., 1969, 65, 1738-1741. [all data]

Prosen, Maron, et al., 1949
Prosen, E.J.; Maron, F.W.; Rossini, F.D., Heat of isomerization of the two butadienes, J. Res. NBS, 1949, 42, 269-275. [all data]

Schroeder, Hrusak, et al., 1995
Schroeder, D.; Hrusak, J.; Hertwig, R.H.; Koch, W.; Schwerdtfeger, P.; Schwarz, H., Experimental and Theoretical Studies of Gold(I) Complexes Au(L)+ (L=H2O, CO, NH3, C2H4, C3H6, C4H6, C6H6, C6F6), Organometallics, 1995, 14, 1, 312, https://doi.org/10.1021/om00001a045 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Mallard, Miller, et al., 1983
Mallard, W.G.; Miller, J.H.; Smyth, K.C., The ns Rydberg series of 1,3-trans-butadiene observed using multiphoton ionization, J. Chem. Phys., 1983, 79, 5900. [all data]

Masclet, Mouvier, et al., 1981
Masclet, P.; Mouvier, G.; Bocquet, J.F., Effets electroniques et effets steriques dus a la substitution alcoyle dans les dienes conjugues, J. Chim. Phys., 1981, 78, 99. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Dannacher, Flamme, et al., 1980
Dannacher, J.; Flamme, J.P.; Stadelmann, J.P.; Vogt, J., Unimolecular fragmentations of internal energy selected 1,3-butadiene cations, Chem. Phys., 1980, 51, 189. [all data]

Bieri and Asbrink, 1980
Bieri, G.; Asbrink, L., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 20, 149. [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]

McDiarmid, 1976
McDiarmid, R., On the ultraviolet spectrum of trans-1,3-butadiene, J. Chem. Phys., 1976, 64, 514. [all data]

Brundle and Robin, 1970
Brundle, C.R.; Robin, M.B., Nonplanarity in hexafluorobutadiene as revealed by photoelectron and optical spectroscopy, J. Am. Chem. Soc., 1970, 92, 5550. [all data]

Matthews and Warneck, 1969
Matthews, C.S.; Warneck, P., Heats of formation of CHO+ and C3H3+ by photoionization, J. Chem. Phys. 5, 1969, 1, 854. [all data]

Eland, 1969
Eland, J.H.D., Photoelectron spectra of conjugated hydrocarbons and heteromolecules, Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 471. [all data]

Parr and Elder, 1968
Parr, A.C.; Elder, F.A., Photoionization of 1,3butadiene, 1,2-butadiene, allene, and propyne, J. Chem. Phys., 1968, 49, 2659. [all data]

Dewar and Worley, 1968
Dewar, M.J.S.; Worley, S.D., Ionization potential of cis-1,3-butadiene, J. Chem. Phys., 1968, 49, 2454. [all data]

Bock and Seidl, 1968
Bock, H.; Seidl, H., 'd-Orbital effects' in silicon- substituted π-electron systems. XI. Syntheses and properties of the isomeric bis(trimethylsilyl)-1,3-butadienes, J. Am. Chem. Soc., 1968, 90, 5694. [all data]

Franklin and Mogenis, 1967
Franklin, J.L.; Mogenis, A., An electron impact study of ions from several dienes, J. Phys. Chem., 1967, 71, 2820. [all data]

Brehm, 1966
Brehm, B., Massenspektrometrische Untersuchung der Photoionisation von Molekulen, Z. Naturforsch., 1966, 21a, 196. [all data]

Watanabe, 1954
Watanabe, K., Photoionization and total absorption cross section of gases. I. Ionization potentials of several molecules. Cross sections of NH3 and NO, J. Chem. Phys., 1954, 22, 1564. [all data]

Price and Walsh, 1940
Price, W.C.; Walsh, A.D., The absorption spectra of conjugated dienes in the vacuum ultra-violet (1), Proc. Roy. Soc. (London), 1940, A174, 220. [all data]

Schmidt, Schweig, et al., 1976
Schmidt, H.; Schweig, A.; Anastassiou, A.G.; Wetzel, J.C., The dominant role of hyperconjugation in the 9-oxabicyclo[4.2.1]nona-2,4,7-triene series, Tetrahedron, 1976, 32, 2239. [all data]

Field, Franklin, et al., 1957
Field, F.H.; Franklin, J.L.; Lampe, F.W., Reactions of gaseous ions. II. Acetylene, J. Am. Chem. Soc., 1957, 79, 2665. [all data]


Notes

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