Ethylene

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, 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
ΔfH°gas12.54kcal/molReviewChase, 1998Data last reviewed in September, 1965
ΔfH°gas12.5 ± 0.1kcal/molReviewManion, 2002adopted recommendation of Gurvich, Veyts, et al., 1991; DRB
Quantity Value Units Method Reference Comment
ΔcH°gas-337.285 ± 0.072kcal/molCmRossini and Knowlton, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -337.230 ± 0.072 kcal/mol; Corresponding ΔfHºgas = 12.55 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
S°gas,1 bar52.419cal/mol*KReviewChase, 1998Data last reviewed in September, 1965

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.94950.Thermodynamics Research Center, 1997p=1 bar. Recommended entropies and heat capacities are in good agreement with those obtained from other statistical thermodynamics calculations [ Chao J., 1975, Gurvich, Veyts, et al., 1989] as well as with ab initio value of S(298.15 K)=219.14 J/mol*K [ East A.L.L., 1997].; GT
7.952100.
8.045150.
8.454200.
9.704273.15
10.25298.15
10.30300.
12.68400.
14.93500.
16.89600.
18.57700.
20.03800.
21.31900.
22.441000.
23.421100.
24.2851200.
25.0381300.
25.7001400.
26.2811500.
27.4401750.
28.2912000.
28.9272250.
29.4122500.
29.7852750.
30.0813000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.284 ± 0.062178.15Burcik E.J., 1941Other experimental values of heat capacity [ Haas M.E., 1932] are less accurate, see [ Chao J., 1975]. Please also see Eucken A., 1933.; GT
8.437 ± 0.062192.35
8.674 ± 0.065210.40
8.975 ± 0.067230.90
9.326 ± 0.069250.60
9.739 ± 0.005270.7
9.804 ± 0.074271.80
10.24 ± 0.076293.45
10.39 ± 0.041300.0
10.99 ± 0.01320.7
11.89 ± 0.088367.7
14.16 ± 0.11463.6

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1200.1200. to 6000.
A -1.52674025.45660
B 44.073113.282171
C -27.00091-0.628222
D 6.8106910.041729
E 0.075416-6.248731
F 11.51370-8.451810
G 38.9954165.73671
H 12.5399012.53990
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1965 Data last reviewed in September, 1965

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, 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:
B - John E. Bartmess
MS - José A. Martinho Simões
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - 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.

Reactions 1 to 50

C2H3- + Hydrogen cation = Ethylene

By formula: C2H3- + H+ = C2H4

Quantity Value Units Method Reference Comment
ΔrH°407. ± 2.kcal/molAVGN/AAverage of 5 out of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°401.00 ± 0.50kcal/molIMREErvin, Gronert, et al., 1990gas phase; B
ΔrG°399.1 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B
ΔrG°398.6 ± 4.9kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B
ΔrG°>397.00kcal/molIMRBFroelicher, Freiser, et al., 1986gas phase; B

C7H4CrO5 (g) = C5CrO5 (g) + Ethylene (g)

By formula: C7H4CrO5 (g) = C5CrO5 (g) + C2H4 (g)

Quantity Value Units Method Reference Comment
ΔrH°25.1 ± 1.kcal/molKinGMcNamara, Becher, et al., 1994The reaction enthalpy was identified with the activation energy.; MS
ΔrH°24.7 ± 2.4kcal/molKinGWells, House, et al., 1994The reaction enthalpy relies on the measured activation energy and on the assumption of a negligible barrier for product recombination Wells, House, et al., 1994.; MS

Silver ion (1+) + Ethylene = (Silver ion (1+) • Ethylene)

By formula: Ag+ + C2H4 = (Ag+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°33.7kcal/molHPMSGuo and Castleman, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°22.1cal/mol*KN/AGuo and Castleman, 1991gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
17.1750.HPMSGuo and Castleman, 1991gas phase; Entropy change calculated or estimated; M

NH4+ + Ethylene = (NH4+ • Ethylene)

By formula: H4N+ + C2H4 = (H4N+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°10.kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.7294.PHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Cobalt ion (1+) + Ethylene = (Cobalt ion (1+) • Ethylene)

By formula: Co+ + C2H4 = (Co+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°44.5 ± 2.2kcal/molCIDTSievers, Jarvis, et al., 1998RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
42.8 (+1.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M
6.5 (+3.0,-0.) CIDHaynes and Armentrout, 1994gas phase; ΔrH>=, guided ion beam CID; M

Ethyl Chloride = Ethylene + Hydrogen chloride

By formula: C2H5Cl = C2H4 + HCl

Quantity Value Units Method Reference Comment
ΔrH°22.0kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase; ALS
ΔrH°17.1kcal/molEqkLevanova, Bushneva, et al., 1979gas phase; ALS
ΔrH°17.35 ± 0.50kcal/molEqkHowlett, 1955gas phase; ALS
ΔrH°17.1kcal/molEqkLane, Linnett, et al., 1953gas phase; ALS

Chromium ion (1+) + Ethylene = (Chromium ion (1+) • Ethylene)

By formula: Cr+ + C2H4 = (Cr+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°22.9 ± 2.6kcal/molCIDTSievers, Jarvis, et al., 1998RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
29.9 (+4.5,-0.) CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

Nickel ion (1+) + Ethylene = (Nickel ion (1+) • Ethylene)

By formula: Ni+ + C2H4 = (Ni+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°43.5 ± 2.6kcal/molCIDTSievers, Jarvis, et al., 1998RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
32.9 (+4.5,-0.) CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

Copper ion (1+) + Ethylene = (Copper ion (1+) • Ethylene)

By formula: Cu+ + C2H4 = (Cu+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°42.1 ± 3.3kcal/molCIDTSievers, Jarvis, et al., 1998RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
22.7 (+2.6,-0.) CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

Scandium ion (1+) + Ethylene = (Scandium ion (1+) • Ethylene)

By formula: Sc+ + C2H4 = (Sc+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°52. ± 3.kcal/molPDissRanashinge and Freiser, 1992gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
31.3 CIDArmentrout and Kickel, 1994gas phase; ΔrH >=, guided ion beam CID; M

Lanthanum ion (1+) + Ethylene = (Lanthanum ion (1+) • Ethylene)

By formula: La+ + C2H4 = (La+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°52. ± 3.kcal/molPDissRanashinge and Freiser, 1992gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
21.5 CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

Yttrium ion (1+) + Ethylene = (Yttrium ion (1+) • Ethylene)

By formula: Y+ + C2H4 = (Y+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°52. ± 3.kcal/molPDissRanashinge and Freiser, 1992gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
26.1 CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

Titanium ion (1+) + Ethylene = (Titanium ion (1+) • Ethylene)

By formula: Ti+ + C2H4 = (Ti+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°34.9 ± 2.6kcal/molCIDTSievers, Jarvis, et al., 1998RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
28.4 CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

Vanadium ion (1+) + Ethylene = (Vanadium ion (1+) • Ethylene)

By formula: V+ + C2H4 = (V+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°29.9 ± 1.9kcal/molCIDTSievers, Jarvis, et al., 1998RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
28.0 CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

Iron ion (1+) + Ethylene = (Iron ion (1+) • Ethylene)

By formula: Fe+ + C2H4 = (Fe+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°34.7 ± 2.6kcal/molCIDTSievers, Jarvis, et al., 1998RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
34.6 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Ethylene + Bromine = Ethane, 1,2-dibromo-

By formula: C2H4 + Br2 = C2H4Br2

Quantity Value Units Method Reference Comment
ΔrH°-28.90 ± 0.30kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.06 ± 0.30 kcal/mol; At 355 °K; ALS

Ethylene + Iodine = Ethane, 1,2-diiodo-

By formula: C2H4 + I2 = C2H4I2

Quantity Value Units Method Reference Comment
ΔrH°-11.5 ± 0.2kcal/molEqkAbrams and Davis, 1954gas phase; ALS
ΔrH°-13.4 ± 0.5kcal/molEqkCutherbertson and Kistiakowsky, 1935gas phase; Heat of dissociation; ALS

(Silver ion (1+) • Ethylene) + Ethylene = (Silver ion (1+) • 2Ethylene)

By formula: (Ag+ • C2H4) + C2H4 = (Ag+ • 2C2H4)

Quantity Value Units Method Reference Comment
ΔrH°32.4kcal/molHPMSGuo and Castleman, 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°30.2cal/mol*KHPMSGuo and Castleman, 1991gas phase; M

Hydrogen + Ethylene = Ethane

By formula: H2 + C2H4 = C2H6

Quantity Value Units Method Reference Comment
ΔrH°-32.6 ± 0.5kcal/molChydKistiakowsky and Nickle, 1951gas phase; ALS
ΔrH°-32.58 ± 0.06kcal/molChydKistiakowsky, Romeyn, et al., 1935gas phase; ALS

Ethyl bromide = Hydrogen bromide + Ethylene

By formula: C2H5Br = HBr + C2H4

Quantity Value Units Method Reference Comment
ΔrH°19.20 ± 0.50kcal/molEqkLane, Linnett, et al., 1953gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 19.1 kcal/mol; ALS

C3H9Si+ + Ethylene = (C3H9Si+ • Ethylene)

By formula: C3H9Si+ + C2H4 = (C3H9Si+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°23.6kcal/molPHPMSLi and Stone, 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°38.5cal/mol*KPHPMSLi and Stone, 1989gas phase; M

C2H4+ + Ethylene = (C2H4+ • Ethylene)

By formula: C2H4+ + C2H4 = (C2H4+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°15.8kcal/molPIOno, Linn, et al., 1984gas phase; M
ΔrH°18.2kcal/molPICeyer, Tiedemann, et al., 1979gas phase; M

C6H4FeO4 (l) = 4Carbon monoxide (g) + iron (cr) + Ethylene (g)

By formula: C6H4FeO4 (l) = 4CO (g) + Fe (cr) + C2H4 (g)

Quantity Value Units Method Reference Comment
ΔrH°46.0 ± 2.0kcal/molHAL-HFCBrown, Connor, et al., 1976MS
ΔrH°44.31kcal/molTD-HFCBrown, Connor, et al., 1976MS

Bicyclo[2.2.2]oct-2-ene = 1,3-Cyclohexadiene + Ethylene

By formula: C8H12 = C6H8 + C2H4

Quantity Value Units Method Reference Comment
ΔrH°32.4kcal/molKinHuybrechts, Rigaux, et al., 1980gas phase; Diels-Alder addition at 560°K, see Van Mele, Boon, et al., 1986; ALS

Fluorine anion + Ethylene = (Fluorine anion • Ethylene)

By formula: F- + C2H4 = (F- • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°6.0 ± 3.0kcal/molIMRBSullivan and Beauchamp, 1976gas phase; Structure: Roy and McMahon, 1985; B

Rh+ + Ethylene = (Rh+ • Ethylene)

By formula: Rh+ + C2H4 = (Rh+ • C2H4)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
38.5 (+0.7,-0.) CIDChen and Armetrout, 1995gas phase; guided ion beam CID; M

C7H9Cl2NPd (solution) + 1,3-Diazine (l) = (PdCl2(C5H5N)2) (solution) + Ethylene (solution)

By formula: C7H9Cl2NPd (solution) + C4H4N2 (l) = (PdCl2(C5H5N)2) (solution) + C2H4 (solution)

Quantity Value Units Method Reference Comment
ΔrH°-13.8 ± 0.41kcal/molRSCPartenheimer and Durham, 1974solvent: Dichloromethane; MS

Rhodium, bis(η2-ethene)(2,4-pentanedionato-O,O')- (solution) + 1,5-Cyclooctadiene, (Z,Z)- (solution) = C13H19O2Rh (solution) + 2Ethylene (solution)

By formula: C9H15O2Rh (solution) + C8H12 (solution) = C13H19O2Rh (solution) + 2C2H4 (solution)

Quantity Value Units Method Reference Comment
ΔrH°-2.2 ± 0.1kcal/molRSCJesse, Cordfunke, et al., 1979solvent: n-Heptane; MS

Hydrogen bromide (g) + C2H3BrMg (solution) = Ethylene (solution) + Br2Mg (solution)

By formula: HBr (g) + C2H3BrMg (solution) = C2H4 (solution) + Br2Mg (solution)

Quantity Value Units Method Reference Comment
ΔrH°-70.29 ± 0.53kcal/molRSCHolm, 1981solvent: Tetrahydrofuran; MS

C6HCrO6+ + Ethylene = (C6HCrO6+ • Ethylene)

By formula: C6HCrO6+ + C2H4 = (C6HCrO6+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°14.3 ± 1.2kcal/molICRCDHop and McMahon, 1991gas phase; Ar collision gas; M

Aluminum ion (1+) + Ethylene = (Aluminum ion (1+) • Ethylene)

By formula: Al+ + C2H4 = (Al+ • C2H4)

Quantity Value Units Method Reference Comment
ΔrH°13.0 ± 2.0kcal/molCIDC,EqGStockigt, Schwarz, et al., 1996Anchored to theory; RCD

(CAS Reg. No. 25013-41-6 • 4294967295Ethylene) + Ethylene = CAS Reg. No. 25013-41-6

By formula: (CAS Reg. No. 25013-41-6 • 4294967295C2H4) + C2H4 = CAS Reg. No. 25013-41-6

Quantity Value Units Method Reference Comment
ΔrH°12.9 ± 2.1kcal/molN/ADePuy, Gronert, et al., 1989gas phase; B

Hydrogen + Ethene, chloro- = Ethylene + Hydrogen chloride

By formula: H2 + C2H3Cl = C2H4 + HCl

Quantity Value Units Method Reference Comment
ΔrH°-18.39kcal/molChydLacher, Kianpour, et al., 1956gas phase; At 298 K; ALS

Ethylene + Chlorine = Ethane, 1,2-dichloro-

By formula: C2H4 + Cl2 = C2H4Cl2

Quantity Value Units Method Reference Comment
ΔrH°-43.65 ± 0.15kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K; ALS

Ethane, 1-chloro-2-iodo- = Iodine atom + Chlorine atom + Ethylene

By formula: C2H4ClI = I + Cl + C2H4

Quantity Value Units Method Reference Comment
ΔrH°76.5 ± 1.0kcal/molKinMinton, Felder, et al., 1984gas phase; ALS

(C2H4+ • Ethylene) + Ethylene = (C2H4+ • 2Ethylene)

By formula: (C2H4+ • C2H4) + C2H4 = (C2H4+ • 2C2H4)

Quantity Value Units Method Reference Comment
ΔrH°4.2kcal/molPICeyer, Tiedemann, et al., 1979gas phase; M

C12H14Mo (cr) + Iodine (cr) = C10H10I2Mo (cr) + Ethylene (g)

By formula: C12H14Mo (cr) + I2 (cr) = C10H10I2Mo (cr) + C2H4 (g)

Quantity Value Units Method Reference Comment
ΔrH°-38.96 ± 0.50kcal/molRSCCalhorda, Carrondo, et al., 1991MS

Rhodium, bis(η2-ethene)(2,4-pentanedionato-O,O')- (cr) + 2Carbon monoxide (g) = Rhodium, dicarbonyl(2,4-pentanedionato-O,O')-, (SP-4-2)- (cr) + 2Ethylene (g)

By formula: C9H15O2Rh (cr) + 2CO (g) = C7H7O4Rh (cr) + 2C2H4 (g)

Quantity Value Units Method Reference Comment
ΔrH°-12.8 ± 0.41kcal/molDSCJesse, Baks, et al., 1978MS

C9H15IrO2 (cr) + 2Carbon monoxide (g) = C7H7IrO4 (cr) + 2Ethylene (g)

By formula: C9H15IrO2 (cr) + 2CO (g) = C7H7IrO4 (cr) + 2C2H4 (g)

Quantity Value Units Method Reference Comment
ΔrH°-17.7 ± 1.1kcal/molDSCJesse, Baks, et al., 1978MS

(Iron ion (1+) • Ethylene) + Ethylene = (Iron ion (1+) • 2Ethylene)

By formula: (Fe+ • C2H4) + C2H4 = (Fe+ • 2C2H4)

Quantity Value Units Method Reference Comment
ΔrH°36.1 ± 3.6kcal/molCIDTSievers, Jarvis, et al., 1998RCD

(Chromium ion (1+) • Ethylene) + Ethylene = (Chromium ion (1+) • 2Ethylene)

By formula: (Cr+ • C2H4) + C2H4 = (Cr+ • 2C2H4)

Quantity Value Units Method Reference Comment
ΔrH°25.8 ± 2.6kcal/molCIDTSievers, Jarvis, et al., 1998RCD

(Manganese ion (1+) • Ethylene) + Ethylene = (Manganese ion (1+) • 2Ethylene)

By formula: (Mn+ • C2H4) + C2H4 = (Mn+ • 2C2H4)

Quantity Value Units Method Reference Comment
ΔrH°21.0 ± 3.3kcal/molCIDTSievers, Jarvis, et al., 1998RCD

(Vanadium ion (1+) • Ethylene) + Ethylene = (Vanadium ion (1+) • 2Ethylene)

By formula: (V+ • C2H4) + C2H4 = (V+ • 2C2H4)

Quantity Value Units Method Reference Comment
ΔrH°30.4 ± 3.3kcal/molCIDTSievers, Jarvis, et al., 1998RCD

(Nickel ion (1+) • Ethylene) + Ethylene = (Nickel ion (1+) • 2Ethylene)

By formula: (Ni+ • C2H4) + C2H4 = (Ni+ • 2C2H4)

Quantity Value Units Method Reference Comment
ΔrH°41.3 ± 3.3kcal/molCIDTSievers, Jarvis, et al., 1998RCD

(Cobalt ion (1+) • Ethylene) + Ethylene = (Cobalt ion (1+) • 2Ethylene)

By formula: (Co+ • C2H4) + C2H4 = (Co+ • 2C2H4)

Quantity Value Units Method Reference Comment
ΔrH°36.3 ± 3.3kcal/molCIDTSievers, Jarvis, et al., 1998RCD

(Copper ion (1+) • Ethylene) + Ethylene = (Copper ion (1+) • 2Ethylene)

By formula: (Cu+ • C2H4) + C2H4 = (Cu+ • 2C2H4)

Quantity Value Units Method Reference Comment
ΔrH°41.6 ± 3.1kcal/molCIDTSievers, Jarvis, et al., 1998RCD

2-Norbornene = 1,3-Cyclopentadiene + Ethylene

By formula: C7H10 = C5H6 + C2H4

Quantity Value Units Method Reference Comment
ΔrH°23.2 ± 0.60kcal/molEqkWalsh and Wells, 1976gas phase; ALS

2Ethylene = Cyclobutane

By formula: 2C2H4 = C4H8

Quantity Value Units Method Reference Comment
ΔrH°-20.7 ± 1.0kcal/molEqkQuick, Knecht, et al., 1972gas phase; At 750 K; ALS

Ethane, 1,2-diiodo- = Ethylene + Iodine

By formula: C2H4I2 = C2H4 + I2

Quantity Value Units Method Reference Comment
ΔrH°11.5 ± 0.2kcal/molEqkBenson and Amano, 1962gas phase; ALS

2-Butene, (E)- + Ethylene = cyclobutane, 1,2-dimethyl-, trans-

By formula: C4H8 + C2H4 = C6H12

Quantity Value Units Method Reference Comment
ΔrH°-16.7kcal/molEqkScacchi and Back, 1977liquid phase; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, 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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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 C2H4+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.5138 ± 0.0006eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)162.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity155.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
ΔfH°(+) ion254.9 ± 0.2kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
ΔfH(+) ion,0K257.kcal/molN/AN/A 

Ionization energy determinations

IE (eV) Method Reference Comment
10.51CIOhno, Okamura, et al., 1995LL
10.5138 ± 0.0006LSWilliams and Cool, 1991LL
10.51 ± 0.015EIPlessis and Marmet, 1986LBLHLM
10.509 ± 0.005EVALPlessis and Marmet, 1986LBLHLM
10.51PEKimura, Katsumata, et al., 1981LLK
10.50 ± 0.02PIWood and Taylor, 1979LLK
10.514 ± 0.007PECarlier and Botter, 1979LLK
10.51PESell, Mintz, et al., 1978LLK
10.51 ± 0.02PEBieri, Burger, et al., 1977LLK
~10.5EIVan Veen, 1976LLK
10.517 ± 0.002TEStockbauer and Inghram, 1975LLK
10.517 ± 0.003TEStockbauer and Inghram, 1975, 2LLK
10.51PIRabalais, Debies, et al., 1974LLK
10.5EIMaeda, Suzuki, et al., 1974LLK
10.507 ± 0.004PIKnowles and Nicholson, 1974LLK
10.51 ± 0.01EIGordon, Krige, et al., 1974LLK
10.515 ± 0.003PEMasclet, Grosjean, et al., 1973LLK
10.51PEBeez, Bieri, et al., 1973LLK
10.51PEMason, Kuppermann, et al., 1972LLK
10.51PEBrundle, Robin, et al., 1972LLK
10.56PEFrost and Sandhu, 1971LLK
10.51 ± 0.02PEBranton, Frost, et al., 1970RDSH
10.51 ± 0.05PEEland, 1969RDSH
10.50 ± 0.05EIWilliams and Hamill, 1968RDSH
10.51PEBaker, Baker, et al., 1968RDSH
10.511 ± 0.005PIBrehm, 1966RDSH
10.50 ± 0.01PIBotter, Dibeler, et al., 1966RDSH
10.507 ± 0.004PINicholson, 1965RDSH
10.50 ± 0.02PIMomigny, 1963RDSH
10.52 ± 0.01PIWatanabe, 1954RDSH
10.51 ± 0.03SPrice and Tutte, 1940RDSH
10.80 ± 0.05EIKusch, Hustrulid, et al., 1937RDSH
10.68PEBieri and Asbrink, 1980Vertical value; LLK
10.50 ± 0.01PEKrause, Taylor, et al., 1978Vertical value; LLK
10.5PEKobayashi, 1978Vertical value; LLK
10.5PEWhite, Carlson, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+≤18.30 ± 0.16CH4EIPlessis and Marmet, 1986LBLHLM
C+24.4?EIMaeda, Suzuki, et al., 1974LLK
C+24.6 ± 0.5?EIKusch, Hustrulid, et al., 1937RDSH
CH+17.68 ± 0.16CH3EIPlessis and Marmet, 1986LBLHLM
CH+22.1?EIMaeda, Suzuki, et al., 1974LLK
CH+22.9 ± 0.5?EIKusch, Hustrulid, et al., 1937RDSH
CH2+17.82 ± 0.06CH2EIPlessis and Marmet, 1986LBLHLM
CH2+18.04 ± 0.04CH2TEStockbauer and Inghram, 1975, 2LLK
CH2+18.4CH2EIMaeda, Suzuki, et al., 1974LLK
CH2+18.05CH2PIChupka, Berkowitz, et al., 1969RDSH
CH2+19.2 ± 0.3?EIKusch, Hustrulid, et al., 1937RDSH
CH3+15.60 ± 0.20CH-EIPlessis and Marmet, 1986LBLHLM
CH3+16.95 ± 0.15CHEIPlessis and Marmet, 1986LBLHLM
CH3+19.3?EIMaeda, Suzuki, et al., 1974LLK
CH4+18.66C-EIPlessis and Marmet, 1986LBLHLM
C2+24.5?EIMaeda, Suzuki, et al., 1974LLK
C2+26.4 ± 1.02H+H2EIKusch, Hustrulid, et al., 1937RDSH
C2H+18.7H+H2EIMaeda, Suzuki, et al., 1974LLK
C2H+19.2 ± 1.0H+H2EIKusch, Hustrulid, et al., 1937RDSH
C2H2+13.14 ± 0.03H2EIPlessis and Marmet, 1986LBLHLM
C2H2+13.2 ± 0.1H2PIPECOBombach, Dannacher, et al., 1984T = 0K; LBLHLM
C2H2+13.55H2PIWood and Taylor, 1979LLK
C2H2+13.13 ± 0.04H2EIGordon, Harvey, et al., 1977LLK
C2H2+13.0 ± 0.1H2EIGordon, Harvey, et al., 1977LLK
C2H2+13.14 ± 0.01H2TEStockbauer and Inghram, 1975, 2LLK
C2H2+13.1H2EIMaeda, Suzuki, et al., 1974LLK
C2H2+13.11 ± 0.02H2EIGordon, Krige, et al., 1974LLK
C2H2+13.13 ± 0.02H2PIChupka, Berkowitz, et al., 1969RDSH
C2H2+12.96 ± 0.02H2PIBrehm, 1966RDSH
C2H2+13.12 ± 0.03H2PIBotter, Dibeler, et al., 1966RDSH
C2H2+13.4 ± 0.2H2EIKusch, Hustrulid, et al., 1937RDSH
C2H3+12.35 ± 0.10H-EIPlessis and Marmet, 1986LBLHLM
C2H3+13.10 ± 0.08HEIPlessis and Marmet, 1986LBLHLM
C2H3+13.3 ± 0.1HPIPECOBombach, Dannacher, et al., 1984T = 0K; LBLHLM
C2H3+13.55HPIWood and Taylor, 1979LLK
C2H3+13.22 ± 0.02HTEStockbauer and Inghram, 1975, 2LLK
C2H3+13.6HEIMaeda, Suzuki, et al., 1974LLK
C2H3+13.31 ± 0.03HEIGordon, Krige, et al., 1974LLK
C2H3+13.52 ± 0.04HEIFinney and Harrison, 1972LLK
C2H3+13.25 ± 0.05HPIChupka, Berkowitz, et al., 1969RDSH
C2H3+13.37 ± 0.03HPIBrehm, 1966RDSH
C2H3+14.1 ± 0.1HEIKusch, Hustrulid, et al., 1937RDSH
H+18.66 ± 0.05C2H3C2H3Shiromaru, Achiba, et al., 1987LBLHLM
H+26.2 ± 1.5C2H3EIKusch, Hustrulid, et al., 1937RDSH
H2+22.4 ± 1.5?EIKusch, Hustrulid, et al., 1937RDSH

De-protonation reactions

C2H3- + Hydrogen cation = Ethylene

By formula: C2H3- + H+ = C2H4

Quantity Value Units Method Reference Comment
ΔrH°407. ± 2.kcal/molAVGN/AAverage of 5 out of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°401.00 ± 0.50kcal/molIMREErvin, Gronert, et al., 1990gas phase; B
ΔrG°399.1 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B
ΔrG°398.6 ± 4.9kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B
ΔrG°>397.00kcal/molIMRBFroelicher, Freiser, et al., 1986gas phase; B

Gas Chromatography

Go To: Top, Gas phase thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-120.166.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane40.175.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.177.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.177.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.178.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.178.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-100178.1Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
CapillaryDB-1164.Hoekman, 199360. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryChromosorb 101183.Voorhees, Hileman, et al., 197510. K/min; Tstart: 0. C; Tend: 220. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH158.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryOV-101166.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C
CapillaryOV-101165.Chupalov and Zenkevich, 1996N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone178.Chen and Feng, 2007Program: not specified
CapillaryPorapack Q180.Zenkevich and Rodin, 2004Program: not specified
CapillaryMethyl Silicone166.Zenkevich, 2000Program: not specified
CapillarySPB-1165.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryPolydimethyl siloxanes165.Zenkevich, 1997Program: not specified
CapillaryPolydimethyl siloxanes165.Zenkevich, Chupalov, et al., 1996Program: not specified
CapillarySPB-1165.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
PackedSE-30188.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane180.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes

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

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Notes

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