Propyne

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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:
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
Δfgas44.32 ± 0.21kcal/molCcbWagman, Kilpatrick, et al., 1945Unpublished work of E. J. Prosen; ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.97650.Thermodynamics Research Center, 1997p=1 bar. Recommended values are in good agreement with other statistically calculated values [ Wagman D.D., 1945, Daykin P.N., 1962].; GT
8.769100.
10.14150.
11.61200.
13.78273.15
14.51298.15
14.57300.
17.34400.
19.74500.
21.80600.
23.59700.
25.148800.
26.520900.
27.7271000.
28.7831100.
29.7111200.
30.5211300.
31.2311400.
31.8551500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
13.76272.28Kistiakowsky G.B., 1940Other experimental values of heat capacity [ Kistiakowsky G.B., 1940, 2] were measured with large uncertainties.; GT
14.58299.59
15.56332.83
16.52369.21

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

Quantity Value Units Method Reference Comment
Tboil250.0 ± 0.5KAVGN/AAverage of 18 out of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus170.2 ± 0.6KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple168.5KN/AMaass and Wright, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc402.4 ± 0.2KN/ATsonopoulos and Ambrose, 1996 
Tc402.38KN/AVohra, Kang, et al., 1962Uncertainty assigned by TRC = 0.05 K; TRC
Tc401.1KN/AMaass and Wright, 1921Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Pc55.6 ± 0.2atmN/ATsonopoulos and Ambrose, 1996 
Pc55.5400atmN/AVohra, Kang, et al., 1962Uncertainty assigned by TRC = 0.0499 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.1635l/molN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
ρc6.12 ± 0.02mol/lN/ATsonopoulos and Ambrose, 1996 
ρc6.113mol/lN/AVohra, Kang, et al., 1962Uncertainty assigned by TRC = 0.01 mol/l; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.50242.AStephenson and Malanowski, 1987Based on data from 183. to 257. K.; AC
4.97272.AStephenson and Malanowski, 1987Based on data from 257. to 402. K.; AC
5.07318.AStephenson and Malanowski, 1987Based on data from 303. to 361. K.; AC
5.23374.AStephenson and Malanowski, 1987Based on data from 359. to 402. K.; AC
5.54264.AStephenson and Malanowski, 1987Based on data from 249. to 306. K.; AC
5.28275.N/AReid, 1972AC
5.71240.N/AVan Hook, 1967Based on data from 162. to 255. K.; AC
5.16338.N/AVohra, Kang, et al., 1962Based on data from 323. to 400. K.; AC
5.59235.N/ABooth, Burchfield, et al., 1933Based on data from 194. to 250. K. See also Boublik, Fried, et al., 1984.; AC
5.11230.N/AMaass and Wright, 1921Based on data from 200. to 260. K.; 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
161.5 to 254.274.946481226.123-1.926van Hook, 1967Coefficents calculated by NIST from author's data.
249.9 to 398.4.02498818.384-46.457Stull, 1947Coefficents calculated by NIST from author's data.

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

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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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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. 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

C3H3- + Hydrogen cation = Propyne

By formula: C3H3- + H+ = C3H4

Quantity Value Units Method Reference Comment
Δr380.3 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase; B
Δr381.8 ± 2.3kcal/molD-EARobinson, Polak, et al., 1995gas phase; B
Δr381.1 ± 2.1kcal/molG+TSRobinson, Polak, et al., 1995gas phase; Relative to MeOH at 375.0. isomerization accounted for in kinetic scheme; B
Δr381.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr372.6 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase; B
Δr373.4 ± 2.0kcal/molIMRERobinson, Polak, et al., 1995gas phase; Relative to MeOH at 375.0. isomerization accounted for in kinetic scheme; B
Δr373.3 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

2Hydrogen + Propyne = Propane

By formula: 2H2 + C3H4 = C3H8

Quantity Value Units Method Reference Comment
Δr-69.22 ± 0.15kcal/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -69.03 ± 0.14 kcal/mol; At 355 K; ALS

Lithium ion (1+) + Propyne = (Lithium ion (1+) • Propyne)

By formula: Li+ + C3H4 = (Li+ • C3H4)

Quantity Value Units Method Reference Comment
Δr28.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

Allene = Propyne

By formula: C3H4 = C3H4

Quantity Value Units Method Reference Comment
Δr-0.90 ± 0.50kcal/molCmCordes and Gunzler, 1959gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -0.81 kcal/mol; ALS

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

By formula: Co+ + C3H4 = (Co+ • C3H4)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
18.9 (+2.1,-0.) CIDHaynes and Armentrout, 1994gas phase; ΔrH>=, guided ion beam CID; M

(CAS Reg. No. 65887-19-6 • 4294967295Propyne) + Propyne = CAS Reg. No. 65887-19-6

By formula: (CAS Reg. No. 65887-19-6 • 4294967295C3H4) + C3H4 = CAS Reg. No. 65887-19-6

Quantity Value Units Method Reference Comment
Δr33.8 ± 2.1kcal/molN/ADePuy, Gronert, et al., 1989gas phase; B

Henry's Law 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 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
0.093 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.091 LN/A 
0.092 VN/A 

Gas phase ion energetics 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 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
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 C3H4+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.36 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)179.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity172.8kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.37PEKimura, Katsumata, et al., 1981LLK
10.37 ± 0.01PIParr, Jason, et al., 1979LLK
10.38 ± 0.01TEParr, Jason, et al., 1979LLK
10.37 ± 0.02PEBieri, Burger, et al., 1977LLK
10.364 ± 0.005PECarlier, Dubois, et al., 1975LLK
10.37PEBrogli, Heilbronner, et al., 1973LLK
10.36EILossing, 1972LLK
10.365 ± 0.015PIPerson and Nicole, 1970RDSH
10.37PEFrost, Herring, et al., 1970RDSH
10.349 ± 0.015PIOmura, Kaneko, et al., 1969RDSH
10.36 ± 0.02PIMatthews and Warneck, 1969RDSH
10.38 ± 0.02PIParr and Elder, 1968RDSH
10.37 ± 0.01PEBaker and Turner, 1968RDSH
10.5 ± 0.1EIGil'burd, Syrvatka, et al., 1967RDSH
10.36SWatanabe and Namioka, 1956RDSH
10.36 ± 0.01PIWatanabe and Namioka, 1956RDSH
10.37PEKimura, Katsumata, et al., 1981Vertical value; LLK
10.54PEBieri and Asbrink, 1980Vertical value; LLK
10.36PEAndreocci, Bitchev, et al., 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+16.0C2HEISenSharma and Franklin, 1973LLK
CH3+14.6 ± 0.1C2HEIGil'burd, Syrvatka, et al., 1967RDSH
CH3+15.4 ± 0.5?EICoats and Anderson, 1957RDSH
C2H+17.2 ± 0.5CH3EICoats and Anderson, 1957RDSH
C2H2+15.2 ± 0.1CH2EIGil'burd, Syrvatka, et al., 1967RDSH
C3+26. ± 1.?EICoats and Anderson, 1957RDSH
C3H+17.12 ± 0.06H+H2PIParr, Jason, et al., 1979LLK
C3H+16.6 ± 0.02H+H2TEParr, Jason, et al., 1979LLK
C3H+14.0 ± 0.1H2+HEIGil'burd, Syrvatka, et al., 1967RDSH
C3H+17.5 ± 0.5H2+HEIHarrison and Tait, 1962RDSH
C3H+15.4 ± 0.3H2+HEICoats and Anderson, 1957RDSH
C3H2+13.68 ± 0.04H2PIParr, Jason, et al., 1979LLK
C3H2+13.0 ± 0.1H2TEParr, Jason, et al., 1979LLK
C3H2+13.8 ± 0.1H2EIGil'burd, Syrvatka, et al., 1967RDSH
C3H2+14.0 ± 0.1H2EICoats and Anderson, 1957RDSH
C3H3+11.2 ± 0.1HTEParr, Jason, et al., 1979LLK
C3H3+11.58 ± 0.04HPIParr, Jason, et al., 1979LLK
C3H3+11.60HEILossing, 1972LLK
C3H3+11.56 ± 0.03HPIMatthews and Warneck, 1969RDSH
C3H3+11.55 ± 0.02HPIParr and Elder, 1968RDSH
C3H3+11.9 ± 0.1HEIGil'burd, Syrvatka, et al., 1967RDSH

De-protonation reactions

C3H3- + Hydrogen cation = Propyne

By formula: C3H3- + H+ = C3H4

Quantity Value Units Method Reference Comment
Δr380.3 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase; B
Δr381.8 ± 2.3kcal/molD-EARobinson, Polak, et al., 1995gas phase; B
Δr381.1 ± 2.1kcal/molG+TSRobinson, Polak, et al., 1995gas phase; Relative to MeOH at 375.0. isomerization accounted for in kinetic scheme; B
Δr381.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr372.6 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase; B
Δr373.4 ± 2.0kcal/molIMRERobinson, Polak, et al., 1995gas phase; Relative to MeOH at 375.0. isomerization accounted for in kinetic scheme; B
Δr373.3 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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: 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

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

By formula: Co+ + C3H4 = (Co+ • C3H4)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
18.9 (+2.1,-0.) CIDHaynes and Armentrout, 1994gas phase; ΔrH>=, guided ion beam CID

Lithium ion (1+) + Propyne = (Lithium ion (1+) • Propyne)

By formula: Li+ + C3H4 = (Li+ • C3H4)

Quantity Value Units Method Reference Comment
Δr28.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated

IR Spectrum

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, Mass spectrum (electron ionization), 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: Coblentz Society, Inc.

Gas Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner Copyright (C) 1987 by the Coblentz Society
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 8880
Date 1964
Name(s) 1-propyne
State GAS (50 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg)
Instrument DOW KBr FOREPRISM-GRATING
Instrument parameters GRATING CHANGED AT 5.0, 7.5, 15.0 MICRON
Path length 5 CM
SPECTRAL CONTAMINATION DUE TO ACETYLENE AT 732 CM-1
ROTATIONAL FEATURES BETWEEN 3090-2971 CM-1 ARE DELETED
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

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, 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

Spectrum

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Mass 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 18849

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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), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Wagman, Kilpatrick, et al., 1945
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]

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]

Wagman D.D., 1945
Wagman D.D., Heats, equilibrium constants, and free energies of formation of the acetylene hydrocarbons through the pentynes to 1500 K, J. Res. Nat. Bur. Stand., 1945, 35, 467-496. [all data]

Daykin P.N., 1962
Daykin P.N., Potential energy constants, rotational distortion constants, and thermodynamic properties of methylacetylenes, J. Chem. Phys., 1962, 37, 1087-1094. [all data]

Kistiakowsky G.B., 1940
Kistiakowsky G.B., Gaseous heat capacities. II, J. Chem. Phys., 1940, 8, 610-618. [all data]

Kistiakowsky G.B., 1940, 2
Kistiakowsky G.B., The low temperature gaseous heat capacities of certain C3 hydrocarbons, J. Chem. Phys., 1940, 8, 970-977. [all data]

Maass and Wright, 1921
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]

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]

Vohra, Kang, et al., 1962
Vohra, S.P.; Kang, T.L.; Kobe, K.A.; McKetta, J.J., P-V-T Properties of Propyne., J. Chem. Eng. Data, 1962, 7, 1, 150-155, https://doi.org/10.1021/je60012a044 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Reid, 1972
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]

Van Hook, 1967
Van Hook, W. Alexander, Vapor Pressures of the Methylacetylenes, H3CCCH, H3CCCD, D3CCCH, and D3CCCD, J. Chem. Phys., 1967, 46, 5, 1907, https://doi.org/10.1063/1.1840952 . [all data]

Booth, Burchfield, et al., 1933
Booth, Harold Simmons; Burchfield, Paul E.; Bixby, Eva May; McKelvey, J.B., Fluorochloroethylenes, J. Am. Chem. Soc., 1933, 55, 6, 2231-2235, https://doi.org/10.1021/ja01333a005 . [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]

van Hook, 1967
van Hook, W.A., Vapor Pressures of the Methylacetylenes, H3CCCH, H3CCCD, D3CCCH, and D3CCCD, J. Chem. Phys., 1967, 46, 5, 1907-1918, https://doi.org/10.1063/1.1840952 . [all data]

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]

Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C., Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes, J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j . [all data]

Robinson, Polak, et al., 1995
Robinson, M.S.; Polak, M.L.; Bierbaum, V.M.; DePuy, C.H.; Lineberger, W.C., Experimental Studies of Allene, Methylacetylene, and the Propargyl Radical: Bond Dissociation Energies, Gas-Phase Acidities, and Ion-Molecule Chemistry, J. Am. Chem. Soc., 1995, 117, 25, 6766, https://doi.org/10.1021/ja00130a017 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes, J. Am. Chem. Soc., 1939, 61, 1868-1876. [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]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Cordes and Gunzler, 1959
Cordes, J.F.; Gunzler, H., Das propin/propadien-gleichgewicht, Chem. Ber., 1959, 92, 1055-1062. [all data]

Haynes and Armentrout, 1994
Haynes, C.L.; Armentrout, P.B., Thermochemistry and Structures of CoC3H6+: Metallacyclic and Metal-Alkene Isomers, Organomettalics, 1994, 13, 9, 3480, https://doi.org/10.1021/om00021a022 . [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Parr, Jason, et al., 1979
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Notes

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