Ethylene

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Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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
Δfgas12.54kcal/molReviewChase, 1998Data last reviewed in September, 1965
Δfgas12.5 ± 0.1kcal/molReviewManion, 2002adopted recommendation of Gurvich, Veyts, et al., 1991; DRB
Quantity Value Units Method Reference Comment
Δcgas-337.285 ± 0.072kcal/molCmRossini and Knowlton, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -337.230 ± 0.072 kcal/mol; Corresponding Δfgas = 12.55 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
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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View table.

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

Phase change data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil169. ± 1.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus103.8KN/AStreng, 1971Uncertainty assigned by TRC = 0.2 K; TRC
Tfus103.7KN/AKistiakowsky, Romeyn, et al., 1935Uncertainty assigned by TRC = 0.5 K; TRC
Tfus103.7KN/AParks and Huffman, 1931Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple104.0 ± 0.1KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Ptriple0.0012atmN/AJahangiri, Jacobsen, et al., 1986Uncertainty assigned by TRC = 0.00005 atm; TRC
Ptriple0.0012atmN/AJahangiri, 1984TRC
Quantity Value Units Method Reference Comment
Tc282.5 ± 0.5KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Pc49.9 ± 0.5atmAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.1311l/molN/ATsonopoulos and Ambrose, 1996 
Vc0.13099l/molN/AJahangiri, 1984Uncertainty assigned by TRC = 0.00002 l/mol; TRC
Vc0.13098l/molN/ADouslin and Harrison, 1976Uncertainty assigned by TRC = 0.0001 l/mol; TRC
Vc0.12868l/molN/AAngus, Armstrong, et al., 1974Uncertainty assigned by TRC = 0.0001 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc7.63 ± 0.004mol/lN/ATsonopoulos and Ambrose, 1996 
ρc7.6334mol/lN/AJahangiri, Jacobsen, et al., 1986Uncertainty assigned by TRC = 0.004 mol/l; TRC
ρc7.6341mol/lN/AHastings, Levelt Sengers, et al., 1980Uncertainty assigned by TRC = 0.0007 mol/l; PVT, Burnett apparatus, Unct. value one standard deviation from fitting.; TRC
ρc18.894mol/lN/AAngus, Armstrong, et al., 1974Uncertainty assigned by TRC = 0.007 mol/l; TRC
ρc7.6986mol/lN/AMathias, Crommelin, et al., 1929Uncertainty assigned by TRC = 0.02 mol/l; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
3.2371169.40N/AEgan and Kemp, 1937DH
3.35267.AStephenson and Malanowski, 1987Based on data from 252. to 282. K.; AC
3.27258.AStephenson and Malanowski, 1987Based on data from 170. to 273. K.; AC
3.44155.AStephenson and Malanowski, 1987Based on data from 120. to 170. K.; AC
3.27196.AStephenson and Malanowski, 1987Based on data from 169. to 211. K.; AC
3.25239.AStephenson and Malanowski, 1987Based on data from 209. to 254. K.; AC
3.37167.AStephenson and Malanowski, 1987Based on data from 120. to 182. K. See also Dykyj, 1970.; AC
3.35175.N/AMichels and Wassenaar, 1950Based on data from 150. to 190. K.; AC
3.42161.N/ALamb and Roper, 1940Based on data from 148. to 174. K.; AC
3.44156.N/AEgan and Kemp, 1937Based on data from 124. to 171. K.; AC

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
19.11169.40Egan and Kemp, 1937DH

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
149.37 to 188.573.86690584.146-18.307Michels and Wassenaar, 1950Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
4.4091.5A,MSStephenson and Malanowski, 1987Based on data from 79. to 104. K. See also Tickner and Lossing, 1951.; AC
3.5977. to 103.N/AMenaucourt, 1982AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.8009103.97Chao, Hall, et al., 1983DH
0.8009103.95Egan and Kemp, 1937DH
0.801104.Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
7.703103.97Chao, Hall, et al., 1983DH
7.703103.95Egan and Kemp, 1937DH

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, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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
Δf(+) 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
Δr407. ± 2.kcal/molAVGN/AAverage of 5 out of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr401.00 ± 0.50kcal/molIMREErvin, Gronert, et al., 1990gas phase; B
Δr399.1 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B
Δr398.6 ± 4.9kcal/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B
Δr>397.00kcal/molIMRBFroelicher, Freiser, et al., 1986gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Vibrational and/or electronic energy levels, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
B - John E. Bartmess

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

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

By formula: Ag+ + C2H4 = (Ag+ • C2H4)

Quantity Value Units Method Reference Comment
Δr33.7kcal/molHPMSGuo and Castleman, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.1cal/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

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

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

Quantity Value Units Method Reference Comment
Δr32.4kcal/molHPMSGuo and Castleman, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr30.2cal/mol*KHPMSGuo and Castleman, 1991gas phase; M

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

By formula: Al+ + C2H4 = (Al+ • C2H4)

Quantity Value Units Method Reference Comment
Δr13.0 ± 2.0kcal/molCIDC,EqGStockigt, Schwarz, et al., 1996Anchored to theory; RCD

C2H4+ + Ethylene = (C2H4+ • Ethylene)

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

Quantity Value Units Method Reference Comment
Δr15.8kcal/molPIOno, Linn, et al., 1984gas phase; M
Δr18.2kcal/molPICeyer, Tiedemann, et al., 1979gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr4.2kcal/molPICeyer, Tiedemann, et al., 1979gas phase; M

C3H5+ + Ethylene = (C3H5+ • Ethylene)

By formula: C3H5+ + C2H4 = (C3H5+ • C2H4)

Quantity Value Units Method Reference Comment
Δr16.7kcal/molPICeyer, Tiedemann, et al., 1979gas phase; M

C3H9Si+ + Ethylene = (C3H9Si+ • Ethylene)

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

Quantity Value Units Method Reference Comment
Δr23.6kcal/molPHPMSLi and Stone, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr38.5cal/mol*KPHPMSLi and Stone, 1989gas phase; M

C4H7+ + Ethylene = (C4H7+ • Ethylene)

By formula: C4H7+ + C2H4 = (C4H7+ • C2H4)

Quantity Value Units Method Reference Comment
Δr8.7kcal/molPICeyer, Tiedemann, et al., 1979gas phase; M

C6HCrO6+ + Ethylene = (C6HCrO6+ • Ethylene)

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

Quantity Value Units Method Reference Comment
Δr14.3 ± 1.2kcal/molICRCDHop and McMahon, 1991gas phase; Ar collision gas; M

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

By formula: Co+ + C2H4 = (Co+ • C2H4)

Quantity Value Units Method Reference Comment
Δr44.5 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr36.3 ± 3.3kcal/molCIDTSievers, Jarvis, et al., 1998RCD

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

By formula: Cr+ + C2H4 = (Cr+ • C2H4)

Quantity Value Units Method Reference Comment
Δr22.9 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr25.8 ± 2.6kcal/molCIDTSievers, Jarvis, et al., 1998RCD

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

By formula: Cu+ + C2H4 = (Cu+ • C2H4)

Quantity Value Units Method Reference Comment
Δr42.1 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr41.6 ± 3.1kcal/molCIDTSievers, Jarvis, et al., 1998RCD

Fluorine anion + Ethylene = (Fluorine anion • Ethylene)

By formula: F- + C2H4 = (F- • C2H4)

Quantity Value Units Method Reference Comment
Δr6.0 ± 3.0kcal/molIMRBSullivan and Beauchamp, 1976gas phase; Structure: Roy and McMahon, 1985; B

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

By formula: Fe+ + C2H4 = (Fe+ • C2H4)

Quantity Value Units Method Reference Comment
Δr34.7 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr36.1 ± 3.6kcal/molCIDTSievers, Jarvis, et al., 1998RCD

NH4+ + Ethylene = (NH4+ • Ethylene)

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

Quantity Value Units Method Reference Comment
Δr10.kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.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

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

By formula: La+ + C2H4 = (La+ • C2H4)

Quantity Value Units Method Reference Comment
Δr52. ± 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

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

By formula: Mn+ + C2H4 = (Mn+ • C2H4)

Quantity Value Units Method Reference Comment
Δr21.7 ± 2.9kcal/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
Δr21.0 ± 3.3kcal/molCIDTSievers, Jarvis, et al., 1998RCD

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

By formula: Na+ + C2H4 = (Na+ • C2H4)

Quantity Value Units Method Reference Comment
Δr10.3 ± 1.1kcal/molCIDTArmentrout and Rodgers, 2000RCD

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

By formula: Ni+ + C2H4 = (Ni+ • C2H4)

Quantity Value Units Method Reference Comment
Δr43.5 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr41.3 ± 3.3kcal/molCIDTSievers, Jarvis, et al., 1998RCD

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

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

By formula: Sc+ + C2H4 = (Sc+ • C2H4)

Quantity Value Units Method Reference Comment
Δr52. ± 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

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

By formula: Ti+ + C2H4 = (Ti+ • C2H4)

Quantity Value Units Method Reference Comment
Δr34.9 ± 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
Δr29.9 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr30.4 ± 3.3kcal/molCIDTSievers, Jarvis, et al., 1998RCD

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

By formula: Y+ + C2H4 = (Y+ • C2H4)

Quantity Value Units Method Reference Comment
Δr52. ± 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

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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 by: Takehiko Shimanouchi

Symmetry:   D2h     Symmetry Number σ = 4


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

ag 1 CH2 s-str 3026  B  ia 3026.4 p gas
ag 2 CC str 1623  D  ia 1622.6 p gas FR(2ν10)
ag 3 CH2 scis 1342  B  ia 1342.2 p gas
au 4 CH2 twist 1023  E  ia  ia OC46)
b1g 5 CH2 a-str 3103  B  ia 3102.5 dp gas
b1g 6 CH2 rock 1236  C  ia 1236 dp liq.
b1u 7 CH2 wag 949  A 949.3 M gas  ia
b2g 8 CH2 wag 943  C  ia 943 dp liq.
b2u 9 CH2 a-str 3106  B 3105.5 S gas  ia
b2u 10 CH2 rock 826  A 826.0 W gas  ia
b3u 11 CH2 s-str 2989  A 2988.66 S gas  ia
b3u 12 CH2 scis 1444  B 1443.5 S gas  ia

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
iaInactive
pPolarized
dpDepolarized
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, 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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