Ethylene

Formula: C₂H₄
Molecular weight: 28.0532
IUPAC Standard InChI: InChI=1S/C2H4/c1-2/h1-2H2
IUPAC Standard InChIKey: VGGSQFUCUMXWEO-UHFFFAOYSA-N
CAS Registry Number: 74-85-1
Chemical structure:
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Isotopologues:
- (Z)-Ethylene-1,2-d2
Other names: Ethene; Acetene; Bicarburretted hydrogen; Elayl; Olefiant gas; C2H4; Athylen; Liquid ethyene; UN 1038; UN 1962
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Information on this page:
Other data available:
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 54
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- Mass spectrum (electron ionization)
- UV/Visible spectrum
- Gas Chromatography
- Fluid Properties
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Gas phase thermochemistry data

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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
Δ_fH°_gas	12.54	kcal/mol	Review	Chase, 1998	Data last reviewed in September, 1965
Δ_fH°_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
Δ_cH°_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 Δ_fHº_gas = 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

C_p,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

C_p,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)

C_p° = 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
C_p = 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

Condensed phase thermochemistry data

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Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
S°_liquid	28.15	cal/mol*K	N/A	Chao, Hall, et al., 1983

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
16.1	170.	Chao, Hall, et al., 1983	T = 16 to 169 K.
16.07	170.	Egan and Kemp, 1937	T = 15 to 170 K.

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

GAS (150 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH N2); DOW KBr FOREPRISM; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

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Data compiled by: Takehiko Shimanouchi

Symmetry: D_2h 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

Strong

Medium

Weak

Inactive

Polarized

Depolarized

Fermi resonance with an overtone or a combination tone indicated in the parentheses.

Frequency estimated from an overtone or a combination tone indicated in the parentheses.

0~1 cm^-1 uncertainty

1~3 cm^-1 uncertainty

3~6 cm^-1 uncertainty

6~15 cm^-1 uncertainty

15~30 cm^-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, Notes

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 . [all data]

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, J. Res. NBS, 1937, 19, 249-262. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Chao J., 1975
Chao J., Ideal gas thermodynamic properties of ethylene and propylene, J. Phys. Chem. Ref. Data, 1975, 4, 251-261. [all data]

Gurvich, Veyts, et al., 1989
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B., Thermodynamic Properties of Individual Substances, 4th ed.; Vols. 1 and 2, Hemisphere, New York, 1989. [all data]

East A.L.L., 1997
East A.L.L., Ab initio statistical thermodynamical models for the computation of third-law entropies, J. Chem. Phys., 1997, 106, 6655-6674. [all data]

Burcik E.J., 1941
Burcik E.J., The vibrational energy levels and specific heat of ethylene, J. Chem. Phys., 1941, 9, 118-119. [all data]

Haas M.E., 1932
Haas M.E., The heat capacity and free energy of formation of ethylene gas, J. Phys. Chem., 1932, 36, 2127-2132. [all data]

Eucken A., 1933
Eucken A., Molar heats and normal frequencies of ethane and ethylene, Z. Phys. Chem., 1933, B20, 184-194. [all data]

Chao, Hall, et al., 1983
Chao, J.; Hall, K.R.; Yao, J.M., Thermodynamic properties of simple alkenes, Thermochim. Acta, 1983, 64(3), 285-303. [all data]

Egan and Kemp, 1937
Egan, C.J.; Kemp, J.D., 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, J. Am. Chem. Soc., 1937, 59, 1264-1268. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

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Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
S°_liquid	Entropy of liquid at standard conditions
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Ethylene

Data at NIST subscription sites:

Gas phase thermochemistry data

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Gas Phase Heat Capacity (Shomate Equation)

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

IR Spectrum

Vibrational and/or electronic energy levels

Symmetry: D2h Symmetry Number σ = 4

Notes

References

Notes

Symmetry: D_2h Symmetry Number σ = 4