Ethylene
- Formula: C2H4
- Molecular weight: 28.0532
- IUPAC Standard InChIKey: VGGSQFUCUMXWEO-UHFFFAOYSA-N
- CAS Registry Number: 74-85-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Ethene; Acetene; Bicarburretted hydrogen; Elayl; Olefiant gas; C2H4; Athylen; Liquid ethyene; UN 1038; UN 1962
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
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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 |
---|---|---|---|---|---|
ΔfH°gas | 12.54 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
ΔfH°gas | 12.5 ± 0.1 | kcal/mol | Review | Manion, 2002 | adopted recommendation of Gurvich, Veyts, et al., 1991; DRB |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -337.285 ± 0.072 | kcal/mol | Cm | Rossini and Knowlton, 1937 | Reanalyzed 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 bar | 52.419 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.949 | 50. | Thermodynamics Research Center, 1997 | p=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 |
7.952 | 100. | ||
8.045 | 150. | ||
8.454 | 200. | ||
9.704 | 273.15 | ||
10.25 | 298.15 | ||
10.30 | 300. | ||
12.68 | 400. | ||
14.93 | 500. | ||
16.89 | 600. | ||
18.57 | 700. | ||
20.03 | 800. | ||
21.31 | 900. | ||
22.44 | 1000. | ||
23.42 | 1100. | ||
24.285 | 1200. | ||
25.038 | 1300. | ||
25.700 | 1400. | ||
26.281 | 1500. | ||
27.440 | 1750. | ||
28.291 | 2000. | ||
28.927 | 2250. | ||
29.412 | 2500. | ||
29.785 | 2750. | ||
30.081 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.284 ± 0.062 | 178.15 | Burcik E.J., 1941 | Other 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 ± 0.062 | 192.35 | ||
8.674 ± 0.065 | 210.40 | ||
8.975 ± 0.067 | 230.90 | ||
9.326 ± 0.069 | 250.60 | ||
9.739 ± 0.005 | 270.7 | ||
9.804 ± 0.074 | 271.80 | ||
10.24 ± 0.076 | 293.45 | ||
10.39 ± 0.041 | 300.0 | ||
10.99 ± 0.01 | 320.7 | ||
11.89 ± 0.088 | 367.7 | ||
14.16 ± 0.11 | 463.6 |
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 | -1.526740 | 25.45660 |
B | 44.07311 | 3.282171 |
C | -27.00091 | -0.628222 |
D | 6.810691 | 0.041729 |
E | 0.075416 | -6.248731 |
F | 11.51370 | -8.451810 |
G | 38.99541 | 65.73671 |
H | 12.53990 | 12.53990 |
Reference | Chase, 1998 | Chase, 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 |
---|---|---|---|---|---|
Tboil | 169. ± 1. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 103.8 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 103.7 | K | N/A | Kistiakowsky, Romeyn, et al., 1935 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 103.7 | K | N/A | Parks and Huffman, 1931 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 104.0 ± 0.1 | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.0012 | atm | N/A | Jahangiri, Jacobsen, et al., 1986 | Uncertainty assigned by TRC = 0.00005 atm; TRC |
Ptriple | 0.0012 | atm | N/A | Jahangiri, 1984 | TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 282.5 ± 0.5 | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 49.9 ± 0.5 | atm | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.1311 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Vc | 0.13099 | l/mol | N/A | Jahangiri, 1984 | Uncertainty assigned by TRC = 0.00002 l/mol; TRC |
Vc | 0.13098 | l/mol | N/A | Douslin and Harrison, 1976 | Uncertainty assigned by TRC = 0.0001 l/mol; TRC |
Vc | 0.12868 | l/mol | N/A | Angus, Armstrong, et al., 1974 | Uncertainty assigned by TRC = 0.0001 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 7.63 ± 0.004 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 | |
ρc | 7.6334 | mol/l | N/A | Jahangiri, Jacobsen, et al., 1986 | Uncertainty assigned by TRC = 0.004 mol/l; TRC |
ρc | 7.6341 | mol/l | N/A | Hastings, Levelt Sengers, et al., 1980 | Uncertainty assigned by TRC = 0.0007 mol/l; PVT, Burnett apparatus, Unct. value one standard deviation from fitting.; TRC |
ρc | 18.894 | mol/l | N/A | Angus, Armstrong, et al., 1974 | Uncertainty assigned by TRC = 0.007 mol/l; TRC |
ρc | 7.6986 | mol/l | N/A | Mathias, Crommelin, et al., 1929 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2371 | 169.40 | N/A | Egan and Kemp, 1937 | DH |
3.35 | 267. | A | Stephenson and Malanowski, 1987 | Based on data from 252. to 282. K.; AC |
3.27 | 258. | A | Stephenson and Malanowski, 1987 | Based on data from 170. to 273. K.; AC |
3.44 | 155. | A | Stephenson and Malanowski, 1987 | Based on data from 120. to 170. K.; AC |
3.27 | 196. | A | Stephenson and Malanowski, 1987 | Based on data from 169. to 211. K.; AC |
3.25 | 239. | A | Stephenson and Malanowski, 1987 | Based on data from 209. to 254. K.; AC |
3.37 | 167. | A | Stephenson and Malanowski, 1987 | Based on data from 120. to 182. K. See also Dykyj, 1970.; AC |
3.35 | 175. | N/A | Michels and Wassenaar, 1950 | Based on data from 150. to 190. K.; AC |
3.42 | 161. | N/A | Lamb and Roper, 1940 | Based on data from 148. to 174. K.; AC |
3.44 | 156. | N/A | Egan and Kemp, 1937 | Based on data from 124. to 171. K.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
19.11 | 169.40 | Egan and Kemp, 1937 | 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 |
---|---|---|---|---|---|
149.37 to 188.57 | 3.86690 | 584.146 | -18.307 | Michels and Wassenaar, 1950 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.40 | 91.5 | A,MS | Stephenson and Malanowski, 1987 | Based on data from 79. to 104. K. See also Tickner and Lossing, 1951.; AC |
3.59 | 77. to 103. | N/A | Menaucourt, 1982 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.8009 | 103.97 | Chao, Hall, et al., 1983 | DH |
0.8009 | 103.95 | Egan and Kemp, 1937 | DH |
0.801 | 104. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.703 | 103.97 | Chao, Hall, et al., 1983 | DH |
7.703 | 103.95 | Egan and Kemp, 1937 | DH |
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 ± 0.0006 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 162.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 155.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 254.9 ± 0.2 | kcal/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 257. | kcal/mol | N/A | N/A |
Ionization energy determinations
Appearance energy determinations
De-protonation reactions
C2H3- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 407. ± 2. | kcal/mol | AVG | N/A | Average of 5 out of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 401.00 ± 0.50 | kcal/mol | IMRE | Ervin, Gronert, et al., 1990 | gas phase; B |
ΔrG° | 399.1 ± 2.1 | kcal/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 398.6 ± 4.9 | kcal/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrG° | >397.00 | kcal/mol | IMRB | Froelicher, Freiser, et al., 1986 | gas 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
By formula: Ag+ + C2H4 = (Ag+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.7 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.1 | cal/mol*K | N/A | Guo and Castleman, 1991 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.1 | 750. | HPMS | Guo and Castleman, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: (Ag+ • C2H4) + C2H4 = (Ag+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.4 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.2 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; M |
By formula: Al+ + C2H4 = (Al+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 ± 2.0 | kcal/mol | CIDC,EqG | Stockigt, Schwarz, et al., 1996 | Anchored to theory; RCD |
By formula: C2H4+ + C2H4 = (C2H4+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 | kcal/mol | PI | Ono, Linn, et al., 1984 | gas phase; M |
ΔrH° | 18.2 | kcal/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
By formula: (C2H4+ • C2H4) + C2H4 = (C2H4+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.2 | kcal/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
By formula: C3H5+ + C2H4 = (C3H5+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.7 | kcal/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
By formula: C3H9Si+ + C2H4 = (C3H9Si+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.6 | kcal/mol | PHPMS | Li and Stone, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 38.5 | cal/mol*K | PHPMS | Li and Stone, 1989 | gas phase; M |
By formula: C4H7+ + C2H4 = (C4H7+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.7 | kcal/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
By formula: C6HCrO6+ + C2H4 = (C6HCrO6+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 1.2 | kcal/mol | ICRCD | Hop and McMahon, 1991 | gas phase; Ar collision gas; M |
By formula: Co+ + C2H4 = (Co+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.5 ± 2.2 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
42.8 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
6.5 (+3.0,-0.) | CID | Haynes and Armentrout, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (Co+ • C2H4) + C2H4 = (Co+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.3 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Cr+ + C2H4 = (Cr+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.9 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
29.9 (+4.5,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (Cr+ • C2H4) + C2H4 = (Cr+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.8 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Cu+ + C2H4 = (Cu+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.1 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.7 (+2.6,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (Cu+ • C2H4) + C2H4 = (Cu+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.6 ± 3.1 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: F- + C2H4 = (F- • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.0 ± 3.0 | kcal/mol | IMRB | Sullivan and Beauchamp, 1976 | gas phase; Structure: Roy and McMahon, 1985; B |
By formula: Fe+ + C2H4 = (Fe+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.7 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34.6 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Fe+ • C2H4) + C2H4 = (Fe+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.1 ± 3.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: H4N+ + C2H4 = (H4N+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 294. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: La+ + C2H4 = (La+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52. ± 3. | kcal/mol | PDiss | Ranashinge and Freiser, 1992 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.5 | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Mn+ + C2H4 = (Mn+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.7 ± 2.9 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: (Mn+ • C2H4) + C2H4 = (Mn+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.0 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Na+ + C2H4 = (Na+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 ± 1.1 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
By formula: Ni+ + C2H4 = (Ni+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.5 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32.9 (+4.5,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (Ni+ • C2H4) + C2H4 = (Ni+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.3 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Rh+ + C2H4 = (Rh+ • C2H4)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
38.5 (+0.7,-0.) | CID | Chen and Armetrout, 1995 | gas phase; guided ion beam CID; M |
By formula: Sc+ + C2H4 = (Sc+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52. ± 3. | kcal/mol | PDiss | Ranashinge and Freiser, 1992 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.3 | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH >=, guided ion beam CID; M |
By formula: Ti+ + C2H4 = (Ti+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.9 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.4 | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: V+ + C2H4 = (V+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.9 ± 1.9 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.0 | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (V+ • C2H4) + C2H4 = (V+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.4 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Y+ + C2H4 = (Y+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52. ± 3. | kcal/mol | PDiss | Ranashinge and Freiser, 1992 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26.1 | CID | Armentrout and Kickel, 1994 | gas 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
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
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 | OC(ν4+ν6) | |||
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
S | Strong |
M | Medium |
W | Weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 20. | 166. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Capillary | Squalane | 40. | 175. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 177. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 177. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 178. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 178. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 178.1 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Capillary | DB-1 | 164. | Hoekman, 1993 | 60. 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Chromosorb 101 | 183. | Voorhees, Hileman, et al., 1975 | 10. K/min; Tstart: 0. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 158. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | OV-101 | 166. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 165. | Chupalov and Zenkevich, 1996 | N2, 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 178. | Chen and Feng, 2007 | Program: not specified |
Capillary | Porapack Q | 180. | Zenkevich and Rodin, 2004 | Program: not specified |
Capillary | Methyl Silicone | 166. | Zenkevich, 2000 | Program: not specified |
Capillary | SPB-1 | 165. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 165. | Zenkevich, 1997 | Program: not specified |
Capillary | Polydimethyl siloxanes | 165. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Capillary | SPB-1 | 165. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Packed | SE-30 | 188. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 180. | Robinson and Odell, 1971 | N2, 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
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, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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