Acetylene

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Gas phase thermochemistry data

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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
Δfgas54.190kcal/molReviewChase, 1998Data last reviewed in March, 1961
Δfgas54.3 ± 0.2kcal/molReviewManion, 2002adopted recommendation of Gurvich, Veyts, et al., 1991; DRB
Δfgas54.19 ± 0.19kcal/molCcbWagman, Kilpatrick, et al., 1945Unpublished work of E. J. Prosen; ALS
Quantity Value Units Method Reference Comment
gas,1 bar48.023cal/mol*KReviewChase, 1998Data last reviewed in March, 1961

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.015100.Gurvich, Veyts, et al., 1989p=1 bar.; GT
8.501200.
10.53298.15
10.56300.
12.04400.
13.09500.
13.89600.
14.57700.
15.18800.
15.73900.
16.241000.
16.711100.
17.131200.
17.521300.
17.871400.
18.181500.
18.471600.
18.731700.
18.961800.
19.171900.
19.362000.
19.542100.
19.702200.
19.842300.
19.982400.
20.112500.
20.222600.
20.332700.
20.432800.
20.532900.
20.623000.

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. - 1100.1100. - 6000.
A 9.72442016.12630
B 9.7353712.808581
C -3.866731-0.483143
D 0.8770890.032551
E -0.157364-2.343790
F 50.3601144.32481
G 56.1675960.59601
H 54.1901154.19011
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1961 Data last reviewed in March, 1961

Phase change data

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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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil189.KN/ABuckingham and Donaghy, 1982BS
Tboil189.6KN/AMaass and Wright, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tfus171.65KN/AMorehouse and Maass, 1931Uncertainty assigned by TRC = 0.5 K; TRC
Tfus191.4KN/AMaass and Russell, 1918Uncertainty assigned by TRC = 1. K; TRC
Tfus191.65KN/AMcIntosh, 1907Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple192.4KN/AClark and Din, 1950Uncertainty assigned by TRC = 0.5 K; TRC
Ttriple191.35KN/AMaass and Wright, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ptriple1.2657atmN/AClark and Din, 1950Uncertainty assigned by TRC = 0.0038 atm; TRC
Quantity Value Units Method Reference Comment
Tc308.3 ± 0.1KN/ATsonopoulos and Ambrose, 1996 
Tc308.35KN/AGoloborod'ko and Khodeeva, 1972Visual, as Goloborod'ko and Khodeeva Zh.Fiz.Khim. 1969,43,1340; TRC
Tc308.66KN/AKhodeeva, 1966TRC
Tc309.7KN/AMaass and Wright, 1921Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Pc60.58 ± 0.099atmN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Vc0.1122l/molN/ATsonopoulos and Ambrose, 1996 
Vc0.113l/molN/AKhodeeva, 1966Visual, samples thoroughly purified; TRC
Quantity Value Units Method Reference Comment
ρc8.91 ± 0.010mol/lN/ATsonopoulos and Ambrose, 1996 

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
3.90273.AStephenson and Malanowski, 1987Based on data from 258. - 308. K.; AC
3.99207.AStephenson and Malanowski, 1987Based on data from 192. - 308. K.; AC
3.99210.AStephenson and Malanowski, 1987Based on data from 192. - 225. K.; AC
4.06214.N/AReid, 1972AC
3.92230.N/AAmbrose and Townsend, 1964Based on data from 215. - 308. K.; AC
4.02200.N/AAmbrose, 1956Based on data from 193. - 207. K. See also Boublik, Fried, et al., 1984.; AC

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
214.64 - 308.334.65570909.0797.947Ambrose and Townsend, 1964, 2Coefficents calculated by NIST from author's data.
192.59 - 206.304.19027699.53-21.47Ambrose, 1956, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
5.62130.AStephenson and Malanowski, 1987Based on data from 98. - 145. K.; AC
5.21162.N/AJones, 1960Based on data from 133. - 191. K.; AC
6.02193.N/AAmbrose, 1956Based on data from 151. - 193. K.; AC
5.43160.AStull, 1947Based on data from 130. - 189. K.; AC
5.28129.ABurbo, 1943Based on data from 89. - 169. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.899192.4Miskiewicz, Rieser, et al., 2010AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
4.25142.7Miskiewicz, Rieser, et al., 1976CAL
4.66192.4

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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
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
MS - José A. Martinho Simões

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.

Individual Reactions

C2H- + Hydrogen cation = Acetylene

By formula: C2H- + H+ = C2H2

Quantity Value Units Method Reference Comment
Δr379. ± 5.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr370. ± 5.kcal/molAVGN/AAverage of 7 values; Individual data points

COS+ + Acetylene = (COS+ • Acetylene)

By formula: COS+ + C2H2 = (COS+ • C2H2)

Quantity Value Units Method Reference Comment
Δr27.7kcal/molPD/KERDGraul S.T. and Bowers, 1991gas phase; ΔrH>=; M
Δr34.kcal/molPDissOrlando, Friedman, et al., 1990gas phase; M
Δr34.kcal/molPDissOrlando, Friedman, et al., 1990gas phase; M
Δr33.7 ± 5.3kcal/molPDissOrlando, Friedman, et al., 1990gas phase; ΔrH<; M

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

By formula: Co+ + C2H2 = (Co+ • C2H2)

Quantity Value Units Method Reference Comment
Δr43.0 ± 1.9kcal/molIRMPDSurya, Ranatunga, et al., 1997RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
6.5 (+3.1,-0.) CIDArmentrout and Kickel, 1994gas phase; ΔrH >=, guided ion beam CID; M

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

By formula: Ni+ + C2H2 = (Ni+ • C2H2)

Quantity Value Units Method Reference Comment
Δr44.9 ± 1.9kcal/molIRMPDSurya, Ranatunga, et al., 1997RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
1.7 (+4.3,-0.) CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

2Hydrogen + Acetylene = Ethane

By formula: 2H2 + C2H2 = C2H6

Quantity Value Units Method Reference Comment
Δr-74.58 ± 0.15kcal/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -75.06 ± 0.66 kcal/mol; At 355 K; ALS

2,5-Norbornadiene = 1,3-Cyclopentadiene + Acetylene

By formula: C7H8 = C5H6 + C2H2

Quantity Value Units Method Reference Comment
Δr28.00 ± 0.50kcal/molKinWalsh and Wells, 1975gas phase; Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 28.36 ± 0.32 kcal/mol; ALS

C2Na2 (cr) + 2Water (l) = 2(Sodium hydroxide • 1418Water) (solution) + Acetylene (g)

By formula: C2Na2 (cr) + 2H2O (l) = 2(HNaO • 1418H2O) (solution) + C2H2 (g)

Quantity Value Units Method Reference Comment
Δr-38.67 ± 0.36kcal/molRSCJohnson, van Deventer, et al., 1973Please also see Pedley and Rylance, 1977.; MS

C2HCs (cr) + Water (l) = (Cesium hydroxide • 1031Water) (solution) + Acetylene (g)

By formula: C2HCs (cr) + H2O (l) = (HCsO • 1031H2O) (solution) + C2H2 (g)

Quantity Value Units Method Reference Comment
Δr-12.9 ± 0.2kcal/molRSCAder and Hubbard, 1973Please also see Pedley and Rylance, 1977.; MS

C2HNa (cr) + Water (l) = (Sodium hydroxide • 1418Water) (solution) + Acetylene (g)

By formula: C2HNa (cr) + H2O (l) = (HNaO • 1418H2O) (solution) + C2H2 (g)

Quantity Value Units Method Reference Comment
Δr-13.0 ± 0.2kcal/molRSCJohnson, van Deventer, et al., 1973Please also see Pedley and Rylance, 1977.; MS

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

By formula: Cu+ + C2H2 = (Cu+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
2.4 (+2.4,-0.) CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

2Acetylene = 1-Buten-3-yne

By formula: 2C2H2 = C4H4

Quantity Value Units Method Reference Comment
Δr55.8kcal/molCmReppe, Schlichting, et al., 1948liquid phase; ALS
Δr49.6kcal/molCmReppe, Schlichting, et al., 1948gas phase; ALS

Rh+ + Acetylene = (Rh+ • Acetylene)

By formula: Rh+ + C2H2 = (Rh+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
30.9 CIDChen and Armetrout, 1995gas phase; ΔrH>=, guided ion beam CID; M

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

By formula: Cr+ + C2H2 = (Cr+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
44.0 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Ti+ + C2H2 = (Ti+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
60.5 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: La+ + C2H2 = (La+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
62.6 (+7.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Sc+ + C2H2 = (Sc+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
57.4 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: V+ + C2H2 = (V+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
49.0 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Y+ + C2H2 = (Y+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
60.5 (+7.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Bromine anion + Acetylene = C2H2Br-

By formula: Br- + C2H2 = C2H2Br-

Quantity Value Units Method Reference Comment
Δr8.60kcal/molLPESWild, Milley, et al., 2000gas phase; Given: 8.635±0.009 kcal/mol(0 K); B

C2Ag2 (cr) + 2(Hydrogen chloride • 12.3Water) (solution) = Acetylene (aq) + 2Silver chloride (cr)

By formula: C2Ag2 (cr) + 2(HCl • 12.3H2O) (solution) = C2H2 (aq) + 2AgCl (cr)

Quantity Value Units Method Reference Comment
Δr-18.6 ± 0.1kcal/molRSCFinch, Gardner, et al., 1991MS

(CAS Reg. No. 25012-81-1 • 4294967295Acetylene) + Acetylene = CAS Reg. No. 25012-81-1

By formula: (CAS Reg. No. 25012-81-1 • 4294967295C2H2) + C2H2 = CAS Reg. No. 25012-81-1

Quantity Value Units Method Reference Comment
Δr33.02 ± 0.72kcal/molN/AErvin, Gronert, et al., 1990gas phase; B

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

By formula: Al+ + C2H2 = (Al+ • C2H2)

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

Ethylene, 1,2-dichloro-, (Z)- = Acetylene + Chlorine

By formula: C2H2Cl2 = C2H2 + Cl2

Quantity Value Units Method Reference Comment
Δr5.1kcal/molKinLaursen and Pimentel, 1989gas phase; Photolyses; ALS

Ethene, chloro- = Acetylene + Hydrogen chloride

By formula: C2H3Cl = C2H2 + HCl

Quantity Value Units Method Reference Comment
Δr24.06 ± 0.28kcal/molCmLacher, Gottlieb, et al., 1962gas phase; ALS

1,3-Cyclopentadiene + Acetylene = 2,5-Norbornadiene

By formula: C5H6 + C2H2 = C7H8

Quantity Value Units Method Reference Comment
Δr-28.0 ± 0.5kcal/molEqkWalsh and Wells, 1975gas phase; ALS

C2H2+ + Acetylene = (C2H2+ • Acetylene)

By formula: C2H2+ + C2H2 = (C2H2+ • C2H2)

Quantity Value Units Method Reference Comment
Δr22.6kcal/molPIOno and Ng, 1982gas phase; M

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

By formula: Fe+ + C2H2 = (Fe+ • C2H2)

Quantity Value Units Method Reference Comment
Δr36.1 ± 1.9kcal/molIRMPDSurya, Ranatunga, et al., 1997RCD

(Z)-1,2-Diiodoethylene = Acetylene + Iodine

By formula: C2H2I2 = C2H2 + I2

Quantity Value Units Method Reference Comment
Δr19.9kcal/molEqkFuruyama, Golden, et al., 1968gas phase; ALS

C2H2I2 = Acetylene + Iodine

By formula: C2H2I2 = C2H2 + I2

Quantity Value Units Method Reference Comment
Δr19.9kcal/molEqkFuruyama, Golden, et al., 1968gas phase; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.039 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0411800.LN/A 
0.042 VN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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
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
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C2H2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)11.400 ± 0.002eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)153.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity147.4kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.41 ± 0.01EIPlessis and Marmet, 1986LBLHLM
11.40PIHayaishi, Iwata, et al., 1982LBLHLM
11.4EVALRosmus, Botschwina, et al., 1981LLK
11.40PEKimura, Katsumata, et al., 1981LLK
11.40PEBieri, Schmelzer, et al., 1980LLK
11.4 ± 0.1EISuzuki and Maeda, 1978LLK
11.4 ± 0.1EISuzuki and Maeda, 1977LLK
11.40 ± 0.02PEBieri, Burger, et al., 1977LLK
~11.3EIVan Veen and Plantenga, 1976LLK
11.37 ± 0.05EIReeher, Flesch, et al., 1976LLK
11.403 ± 0.0003PECarlier, Dubois, et al., 1975LLK
11.394 ± 0.005PIParr and Taylor, 1973LLK
11.398 ± 0.005PIDibeler and Walker, 1973LLK
11.40PEBrogli, Heilbronner, et al., 1973LLK
11.39 ± 0.02EILossing, 1970RDSH
11.395 ± 0.015PIOmura, Kaneko, et al., 1969RDSH
11.39 ± 0.05EIWilliams and Hamill, 1968RDSH
11.41 ± 0.01EICollins, Winters, et al., 1968RDSH
11.40 ± 0.01PEBaker and Turner, 1968RDSH
11.400 ± 0.005PIBrehm, 1966RDSH
11.396 ± 0.003PINicholson, 1965RDSH
11.40 ± 0.02EIMelton and Hamill, 1964RDSH
11.406 ± 0.006PIDibeler and Reese, 1964RDSH
11.41 ± 0.01PIWatanabe and Namioka, 1956RDSH
11.2 ± 0.1EIKusch, Hustrulid, et al., 1937RDSH
11.41SPrice, 1935RDSH
11.49PEBieri and Asbrink, 1980Vertical value; LLK
11.43PECavell and Allison, 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+21.20 ± 0.05CH2EILocht and Davister, 1995LL
C+24. ± 1.?PICooper, Ibuki, et al., 1988LL
C+20.43 ± 0.05CH2EIPlessis and Marmet, 1986LBLHLM
C+22.5 ± 0.3C+2HEISuzuki and Maeda, 1977LLK
C+23.6?EIBloch, 1963RDSH
C+24.5 ± 1.0C+2HEIKusch, Hustrulid, et al., 1937RDSH
CH+20.85 ± 0.05CHEIDavister and Locht, 1995LL
CH+20.54 ± 0.05CHEIPlessis and Marmet, 1986LBLHLM
CH+23.9 ± 0.2C+HEIPlessis and Marmet, 1986LBLHLM
CH+24.1C+HPIHayaishi, Iwata, et al., 1982LBLHLM
CH+20.7 ± 0.1CHPIHayaishi, Iwata, et al., 1982LBLHLM
CH+20.9 ± 0.2CHEISuzuki and Maeda, 1977LLK
CH+21.5 ± 0.2CHEIKloster-Jensen, Pascual, et al., 1970RDSH
CH+21.9CHEIHaney and Franklin, 1968RDSH
CH+22.2 ± 0.5CHEIKusch, Hustrulid, et al., 1937RDSH
CH2+19.74 ± 0.20CEILocht and Davister, 1995LL
CH2+18.17 ± 0.09C-EIPlessis and Marmet, 1986LBLHLM
CH2+19.40 ± 0.12CEIPlessis and Marmet, 1986LBLHLM
CH2+19.4 ± 0.1CPIHayaishi, Iwata, et al., 1982LBLHLM
CH2+20.5 ± 0.2?EISuzuki and Maeda, 1977LLK
CH2+21.CEIFranklin and Munson, 1965RDSH
C2+19. ± 1.H2CIELReid, Ballantine, et al., 1995LL
C2+18.44 ± 0.07H2EILocht and Davister, 1995LL
C2+22.60 ± 0.122HEIPlessis and Marmet, 1986LBLHLM
C2+18.16 ± 0.05H2EIPlessis and Marmet, 1986LBLHLM
C2+18.1 ± 0.1H2PIHayaishi, Iwata, et al., 1982LBLHLM
C2+22.7 ± 0.12HPIHayaishi, Iwata, et al., 1982LBLHLM
C2+19.2 ± 0.2?EISuzuki and Maeda, 1977LLK
C2+23.62H?EIMomigny and Derouane, 1968RDSH
C2+19.5H2EIBloch, 1963RDSH
C2+23.82H?EIBloch, 1963RDSH
C2+22.72H?EIField, Franklin, et al., 1957RDSH
C2+18.2H2EIField, Franklin, et al., 1957RDSH
C2+23.3 ± 0.52H?EICoats and Anderson, 1957RDSH
C2+23.8 ± 0.32HEIKusch, Hustrulid, et al., 1937RDSH
C2H+17.35 ± 0.04HPIPECOServais and Locht, 1995LL
C2H+17.360HPIPECOWeitzel, Mahnert, et al., 1994LL
C2H+17.30 ± 0.08HEIDavister and Locht, 1994LL
C2H+17.33 ± 0.05HPIPECONorwood and Ng, 1989LL
C2H+16.70 ± 0.10HEIPlessis and Marmet, 1986LBLHLM
C2H+16.8 ± 0.1HPIHayaishi, Iwata, et al., 1982LBLHLM
C2H+16.79 ± 0.03HPIOno and Ng, 1981LLK
C2H+17.3HPIPECOEland, 1979LLK
C2H+17.5 ± 0.1HEISuzuki and Maeda, 1977LLK
C2H+17.36 ± 0.01HPIDibeler, Walker, et al., 1973LLK
C2H+17.22HPIBotter, Dibeler, et al., 1966RDSH
C2H+17.3HEIField, Franklin, et al., 1957RDSH
C2H+17.8 ± 0.2HEIKusch, Hustrulid, et al., 1937RDSH
H+18.83 ± 0.23C2HEIDavister and Locht, 1994LL
H+23. ± 1.?PICooper, Ibuki, et al., 1988LL
H+19.35 ± 0.05C2HPIShiromaru, Achiba, et al., 1987LBLHLM
H+20.6 ± 0.3?EISuzuki and Maeda, 1977LLK
H+21.7 ± 1.0C2+HEIKusch, Hustrulid, et al., 1937RDSH
H+25.6 ± 1.0CH+CEIKusch, Hustrulid, et al., 1937RDSH

De-protonation reactions

C2H- + Hydrogen cation = Acetylene

By formula: C2H- + H+ = C2H2

Quantity Value Units Method Reference Comment
Δr379. ± 5.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr370. ± 5.kcal/molAVGN/AAverage of 7 values; Individual data points

Ion clustering data

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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:
RCD - Robert C. Dunbar
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

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

By formula: Al+ + C2H2 = (Al+ • C2H2)

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

Bromine anion + Acetylene = C2H2Br-

By formula: Br- + C2H2 = C2H2Br-

Quantity Value Units Method Reference Comment
Δr8.60kcal/molLPESWild, Milley, et al., 2000gas phase; Given: 8.635±0.009 kcal/mol(0 K); B

COS+ + Acetylene = (COS+ • Acetylene)

By formula: COS+ + C2H2 = (COS+ • C2H2)

Quantity Value Units Method Reference Comment
Δr27.7kcal/molPD/KERDGraul S.T. and Bowers, 1991gas phase; ΔrH>=; M
Δr34.kcal/molPDissOrlando, Friedman, et al., 1990gas phase; M
Δr34.kcal/molPDissOrlando, Friedman, et al., 1990gas phase; M
Δr33.7 ± 5.3kcal/molPDissOrlando, Friedman, et al., 1990gas phase; ΔrH<; M

C2H2+ + Acetylene = (C2H2+ • Acetylene)

By formula: C2H2+ + C2H2 = (C2H2+ • C2H2)

Quantity Value Units Method Reference Comment
Δr22.6kcal/molPIOno and Ng, 1982gas phase; M

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

By formula: Co+ + C2H2 = (Co+ • C2H2)

Quantity Value Units Method Reference Comment
Δr43.0 ± 1.9kcal/molIRMPDSurya, Ranatunga, et al., 1997RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
6.5 (+3.1,-0.) CIDArmentrout and Kickel, 1994gas phase; ΔrH >=, guided ion beam CID; M

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

By formula: Cr+ + C2H2 = (Cr+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
44.0 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Cu+ + C2H2 = (Cu+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
2.4 (+2.4,-0.) CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

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

By formula: Fe+ + C2H2 = (Fe+ • C2H2)

Quantity Value Units Method Reference Comment
Δr36.1 ± 1.9kcal/molIRMPDSurya, Ranatunga, et al., 1997RCD

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

By formula: La+ + C2H2 = (La+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
62.6 (+7.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Ni+ + C2H2 = (Ni+ • C2H2)

Quantity Value Units Method Reference Comment
Δr44.9 ± 1.9kcal/molIRMPDSurya, Ranatunga, et al., 1997RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
1.7 (+4.3,-0.) CIDArmentrout and Kickel, 1994gas phase; ΔrH>=, guided ion beam CID; M

Rh+ + Acetylene = (Rh+ • Acetylene)

By formula: Rh+ + C2H2 = (Rh+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
30.9 CIDChen and Armetrout, 1995gas phase; ΔrH>=, guided ion beam CID; M

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

By formula: Sc+ + C2H2 = (Sc+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
57.4 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Ti+ + C2H2 = (Ti+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
60.5 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: V+ + C2H2 = (V+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
49.0 (+4.8,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Y+ + C2H2 = (Y+ • C2H2)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
60.5 (+7.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 18810

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

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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:   D∞h     Symmetry Number σ = 2


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

σg+ 1 CH str 3374  C  ia 3373.7 S gas
σg+ 2 CC str 1974  C  ia 1973.8 VS gas
σu+ 3 CH str 3289  B 3294.9 S gas  ia FR245)
σu+ 3 CH str 3289  B 3281.9 VS gas  ia FR245)
πg 4 CH bend 612  C  ia 611.8 VW gas
πu 5 CH bend 730  A 730.3 VS gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
VWVery weak
iaInactive
FRFermi resonance with 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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, NIST Free Links, 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
PackedSqualane27.155.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.157.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.156.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.156.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
CapillaryDB-1195.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

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH182.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryOV-101176.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone156.Chen and Feng, 2007Program: not specified
CapillaryPorapack Q182.Zenkevich and Rodin, 2004Program: not specified
CapillaryMethyl Silicone155.N/AProgram: 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
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

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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 . [all data]

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Wagman, D.D.; Kilpatrick, J.E.; Pitzer, K.S.; Rossini, F.D., Heats, equilibrium constants, and free energies of formation of the acetylene hydrocarbons through the pentynes, to 1,500° K, J. Res. NBS, 1945, 35, 467-496. [all data]

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Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

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Maass, O.; Wright, C.H., SOME PHYSICAL PROPERTIES OF HYDROCARBONS CONTAINING TWO AND THREE CARBON ATOMS., J. Am. Chem. Soc., 1921, 43, 5, 1098-1111, https://doi.org/10.1021/ja01438a013 . [all data]

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Morehouse, F.R.; Maass, O., The Preparationa and Physical Properties of Ethyl and Methyl Acetylene, Can. J. Res., 1931, 5, 306. [all data]

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Maass, O.; Russell, J., Unsaturation and molecular compound formation, J. Am. Chem. Soc., 1918, 40, 1561-1573. [all data]

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McIntosh, D., The physical properties of liquid and solid acetylene., J. Phys. Chem., 1907, 11, 306-17. [all data]

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Clark, A.M.; Din, F., Equilibria Between Solid, Liquid, and Gaseous Phases at Low Temperature binary systems acetylene - carbon dioxide, acetylene - ethylene and acetylene - ethane, Trans. Faraday Soc., 1950, 46, 901. [all data]

Tsonopoulos and Ambrose, 1996
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons, J. Chem. Eng. Data, 1996, 41, 645-656. [all data]

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Goloborod'ko, N.P.; Khodeeva, S.M., Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 235-7. [all data]

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Khodeeva, S.M., Visual Observation of Gas-Gas Mixture, Russ. J. Phys. Chem. (Engl. Transl.), 1966, 40, 1061-3. [all data]

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Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

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Ambrose, D.; Townsend, R., Vapour pressure of acetylene, Trans. Faraday Soc., 1964, 60, 1025, https://doi.org/10.1039/tf9646001025 . [all data]

Ambrose, 1956
Ambrose, D., The vapour pressures and critical temperatures of acetylene and carbon dioxide, Trans. Faraday Soc., 1956, 52, 772, https://doi.org/10.1039/tf9565200772 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

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Ambrose, D.; Townsend, R., Vapour Pressure of Acetylene, Trans. Faraday Soc., 1964, 60, 1025-1029, https://doi.org/10.1039/tf9646001025 . [all data]

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Ambrose, D., The Vapour Pressures and Critical Temperatures of Acetylene and Carbon Dioxide, Trans. Faraday Soc., 1956, 52, 772-781, https://doi.org/10.1039/tf9565200772 . [all data]

Jones, 1960
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Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

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Graul S.T. and Bowers, 1991
Graul S.T.; Bowers, M.T., Dynamics of Metastable Dissociation and Photodissociation of the Gas Phase Cluster Ion (OCS.C2H2)+, J. Phys. Chem., 1991, 95, 21, 8328, https://doi.org/10.1021/j100174a055 . [all data]

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Orlando, T.M.; Friedman, A.; Maier, J.P., Photodissociation Spectroscopy of the [OCS C2H2]+ Cluster, J. Chem. Phys., 1990, 92, 12, 7365, https://doi.org/10.1063/1.458222 . [all data]

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Wild, D.A.; Milley, P.J.; Loh, Z.M.; Wolynec, P.P.; Weiser, P.S.; Bieske, E.J., Structural and Energetic Properties of the Br--C2H2 Anion Complex from Rotationally Resolved Mid-infrared Spectra And ab initio Calculations, J. Chem. Phys., 2000, 113, 3, 1075, https://doi.org/10.1063/1.481919 . [all data]

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Ervin, K.M.; Gronert, S.; Barlow, S.E.; Gilles, M.K.; Harrison, A.G.; Bierbaum, V.M.; DePuy, C.H.; Lin, W.C., Bonds Strengths of Ethylene and Acetylene, J. Am. Chem. Soc., 1990, 112, 15, 5750, https://doi.org/10.1021/ja00171a013 . [all data]

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Notes

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