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.
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Gas phase thermochemistry data
Go To: Top, Phase change data, Henry's Law 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 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 | 52.47 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
ΔfH°gas | 52.4 ± 0.5 | kJ/mol | Review | Manion, 2002 | adopted recommendation of Gurvich, Veyts, et al., 1991; DRB |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -1411.20 ± 0.30 | kJ/mol | Cm | Rossini and Knowlton, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1410.97 ± 0.30 kJ/mol; Corresponding ΔfHºgas = 52.52 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 219.32 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.26 | 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 |
33.27 | 100. | ||
33.66 | 150. | ||
35.37 | 200. | ||
40.60 | 273.15 | ||
42.90 | 298.15 | ||
43.08 | 300. | ||
53.06 | 400. | ||
62.48 | 500. | ||
70.66 | 600. | ||
77.70 | 700. | ||
83.82 | 800. | ||
89.18 | 900. | ||
93.88 | 1000. | ||
98.00 | 1100. | ||
101.61 | 1200. | ||
104.76 | 1300. | ||
107.53 | 1400. | ||
109.96 | 1500. | ||
114.81 | 1750. | ||
118.37 | 2000. | ||
121.03 | 2250. | ||
123.06 | 2500. | ||
124.62 | 2750. | ||
125.86 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.66 ± 0.26 | 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 |
35.30 ± 0.26 | 192.35 | ||
36.29 ± 0.27 | 210.40 | ||
37.55 ± 0.28 | 230.90 | ||
39.02 ± 0.29 | 250.60 | ||
40.75 ± 0.02 | 270.7 | ||
41.02 ± 0.31 | 271.80 | ||
42.84 ± 0.32 | 293.45 | ||
43.47 ± 0.17 | 300.0 | ||
45.98 ± 0.04 | 320.7 | ||
49.74 ± 0.37 | 367.7 | ||
59.25 ± 0.44 | 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | -6.387880 | 106.5104 |
B | 184.4019 | 13.73260 |
C | -112.9718 | -2.628481 |
D | 28.49593 | 0.174595 |
E | 0.315540 | -26.14469 |
F | 48.17332 | -35.36237 |
G | 163.1568 | 275.0424 |
H | 52.46694 | 52.46694 |
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, Henry's Law 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 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 | bar | N/A | Jahangiri, Jacobsen, et al., 1986 | Uncertainty assigned by TRC = 0.00005 bar; TRC |
Ptriple | 0.0012 | bar | 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 | 50.6 ± 0.5 | bar | 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 (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.544 | 169.40 | N/A | Egan and Kemp, 1937 | DH |
14.0 | 267. | A | Stephenson and Malanowski, 1987 | Based on data from 252. to 282. K.; AC |
13.7 | 258. | A | Stephenson and Malanowski, 1987 | Based on data from 170. to 273. K.; AC |
14.4 | 155. | A | Stephenson and Malanowski, 1987 | Based on data from 120. to 170. K.; AC |
13.7 | 196. | A | Stephenson and Malanowski, 1987 | Based on data from 169. to 211. K.; AC |
13.6 | 239. | A | Stephenson and Malanowski, 1987 | Based on data from 209. to 254. K.; AC |
14.1 | 167. | A | Stephenson and Malanowski, 1987 | Based on data from 120. to 182. K. See also Dykyj, 1970.; AC |
14.0 | 175. | N/A | Michels and Wassenaar, 1950 | Based on data from 150. to 190. K.; AC |
14.3 | 161. | N/A | Lamb and Roper, 1940 | Based on data from 148. to 174. K.; AC |
14.4 | 156. | N/A | Egan and Kemp, 1937 | Based on data from 124. to 171. K.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
79.95 | 169.40 | Egan and Kemp, 1937 | DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
149.37 to 188.57 | 3.87261 | 584.146 | -18.307 | Michels and Wassenaar, 1950 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.4 | 91.5 | A,MS | Stephenson and Malanowski, 1987 | Based on data from 79. to 104. K. See also Tickner and Lossing, 1951.; AC |
15.0 | 77. to 103. | N/A | Menaucourt, 1982 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.351 | 103.97 | Chao, Hall, et al., 1983 | DH |
3.351 | 103.95 | Egan and Kemp, 1937 | DH |
3.35 | 104. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
32.23 | 103.97 | Chao, Hall, et al., 1983 | DH |
32.23 | 103.95 | Egan and Kemp, 1937 | DH |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0048 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0049 | Q | N/A | Several references are given in the list of Henry's law constants but not assigned to specific species. | |
0.0047 | L | N/A | ||
0.0047 | 1800. | L | N/A | |
0.0047 | V | N/A | ||
0.0049 | X | N/A | The value is taken from the compilation of solubilities by W. Asman (unpublished). |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, 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) | 680.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 651.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 1067. ± 0.8 | kJ/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 1080. | kJ/mol | N/A | N/A |
Ionization energy determinations
Appearance energy determinations
De-protonation reactions
C2H3- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1704. ± 9. | kJ/mol | AVG | N/A | Average of 5 out of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1677.8 ± 2.1 | kJ/mol | IMRE | Ervin, Gronert, et al., 1990 | gas phase; B |
ΔrG° | 1670. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 1668. ± 21. | kJ/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrG° | >1661.0 | kJ/mol | IMRB | Froelicher, Freiser, et al., 1986 | gas phase; B |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Manion, 2002
Manion, J.A.,
Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons,
J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703
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Gurvich, Veyts, et al., 1991
Thermodynamic Properties of Individual Substances, 4th edition, Volume 2, Gurvich, L.V.; Veyts, I.V.; Alcock, C.B.;, ed(s)., Hemisphere, New York, 1991. [all data]
Rossini and Knowlton, 1937
Rossini, F.d.; Knowlton, J.W.,
Calorimetric determination of the heats of combustion of ethylene and propylene,
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Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Thermodynamics Research Center, 1997
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Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Chao J., 1975
Chao J.,
Ideal gas thermodynamic properties of ethylene and propylene,
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Gurvich, Veyts, et al., 1989
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Thermodynamic Properties of Individual Substances, 4th ed.; Vols. 1 and 2, Hemisphere, New York, 1989. [all data]
East A.L.L., 1997
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Ab initio statistical thermodynamical models for the computation of third-law entropies,
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Burcik E.J., 1941
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The vibrational energy levels and specific heat of ethylene,
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Haas M.E., 1932
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The heat capacity and free energy of formation of ethylene gas,
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Eucken A., 1933
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Molar heats and normal frequencies of ethane and ethylene,
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Streng, 1971
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Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature,
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Heats of Organic Reactions. I. The Apparatus and the Heat of Hydrogenation of Ethylene,
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Parks and Huffman, 1931
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Some fusion and transition data for hydrocarbons,
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Thermodynamic Properties of Ethylene from the Freezing Line to 450 K at Pressures to 260 MPa,
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Jahangiri, 1984
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A thermodynamic property formulation for ethylene from the freezing line to 450 K at pressures to 260 MPa, Ph.D. Thesis, Univ. Idaho, Moscow, 1984. [all data]
Tsonopoulos and Ambrose, 1996
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Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons,
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Pressure, Volume, Temperature Relations of Ethylene,
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Ethylene. The heat capacity from 15°K to the boiling point. The heats of fusion and vaporization. The vapor pressure of the liquid. The entropy from thermal measurements compared with the entropy from spectroscopic data,
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Michels and Wassenaar, 1950
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The vapour pressure of ethylene,
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Lamb and Roper, 1940
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Saturated vapor pressure of ethylene from 77 to 119 K,
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Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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Sell, Mintz, et al., 1978
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Low-energy electron-impact spectroscopy on ethylene,
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Vibrational structure in the ground state of ethylene ethylene-d4 molecular ions investigated by threshold photoelectron spectroscopy,
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Maeda, Suzuki, et al., 1974
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Ionization energies of formic and acetic acid monomers,
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Gordon, Krige, et al., 1974
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Notes
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- 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) Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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 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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