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1-Butyne

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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 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
Deltafgas165.2 ± 0.88kJ/molCmProsen, Maron, et al., 1951ALS
Deltafgas166.1 ± 2.1kJ/molCcbWagman, Kilpatrick, et al., 1945Unpublished work of E. J. Prosen; ALS
Quantity Value Units Method Reference Comment
Deltacgas-2596.8 ± 0.84kJ/molCmProsen, Maron, et al., 1951Corresponding «DELTA»fgas = 165.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
34.9250.Thermodynamics Research Center, 1997p=1 bar. Values from earlier statistical thermodynamics calculation [ Wagman D.D., 1945] are slightly lower than recommended ones (up to 1.8 J/mol*K in S(T) and 1 J/mol*K in Cp(T)).; GT
43.77100.
52.95150.
62.46200.
76.90273.15
81.82298.15
82.18300.
100.68400.
116.59500.
130.02600.
141.49700.
151.41800.
160.04900.
167.571000.
174.141100.
179.871200.
184.91300.
189.21400.
193.01500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid197.48J/mol*KN/AAston, Mastrangelo, et al., 1950 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
132.42280.Aston, Mastrangelo, et al., 1950T = 13 to 280 K.

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil283. ± 7.KAVGN/AAverage of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus147.28KN/APomerantz, Fookson, et al., 1954Uncertainty assigned by TRC = 0.2 K; TRC
Tfus147.39KN/ABoord, Greenlee, et al., 1947Uncertainty assigned by TRC = 0.5 K; TRC
Tfus147.49KN/ABoord, Greenlee, et al., 1947Uncertainty assigned by TRC = 0.3 K; TRC
Tfus147.49KN/ABoord, Greenlee, et al., 1946Uncertainty assigned by TRC = 0.2 K; TRC
Tfus150.65KN/AMorehouse and Maass, 1931Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple147.45KN/AAston, Mastrangelo, et al., 1950, 2Uncertainty assigned by TRC = 0.08 K; TRC
Ttriple147.41KN/AAston, Mastrangelo, et al., 1950, 2Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Tc440. ± 2.KN/ATsonopoulos and Ambrose, 1996 
Tc463.6KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Pc46.0 ± 2.0barN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Vc0.208l/molN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
rhoc4.8 ± 0.20mol/lN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Deltavap23.79kJ/molN/AMajer and Svoboda, 1985 
Deltavap23.7kJ/molN/AReid, 1972AC
Deltavap23.38kJ/molVAston, Mastrangelo, et al., 1950ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
24.522281.23N/AAston, Mastrangelo, et al., 1950P = 101.325 kPa; DH
24.52281.2N/AMajer and Svoboda, 1985 
26.274.AStephenson and Malanowski, 1987Based on data from 205. - 289. K.; AC
25.8 ± 0.1263.CAston, Mastrangelo, et al., 1950AC
24.5 ± 0.1281.CAston, Mastrangelo, et al., 1950AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
263. - 283.43.040.3654463.6Majer and Svoboda, 1985 

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
87.20281.23Aston, Mastrangelo, et al., 1950P; 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
194.39 - 282.704.24021046.879-33.951Aston, Mastrangelo, et al., 1950Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.0291147.43Aston, Mastrangelo, et al., 1950DH
6.03147.4Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
40.89147.43Aston, Mastrangelo, et al., 1950DH

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:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 97

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Prosen, Maron, et al., 1951
Prosen, E.J.; Maron, F.W.; Rossini, F.D., Heats of combustion, formation, and insomerization of ten C4 hydrocarbons, J. Res. NBS, 1951, 46, 106-112. [all data]

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]

Aston, Mastrangelo, et al., 1950
Aston, J.G.; Mastrangelo, S.V.R.; Moessen, G.W., The thermodynamics of 1-butyne from calorimetric and spectroscopic data, J. Am. Chem. Soc., 1950, 72, 5287-5291. [all data]

Pomerantz, Fookson, et al., 1954
Pomerantz, P.; Fookson, A.; Mears, T.W.; Rothberg, S.; Howard, F.L., Synthesis and Physical Properties of Several Acetylenic Hydrocarbons, J. Res. Natl. Bur. Stand. (U. S.), 1954, 52, 51. [all data]

Boord, Greenlee, et al., 1947
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L.; Derfer, J.M., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Wt., Am. Pet. Inst. Res. Proj. 45, Ninth Annu. Rep., Ohio State Univ., June 30, 1947. [all data]

Boord, Greenlee, et al., 1946
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Weight, Am. Pet. Inst. Res. Proj. 45, Eighth Annu. Rep., Ohio State Univ., June 30, 1946. [all data]

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

Aston, Mastrangelo, et al., 1950, 2
Aston, J.G.; Mastrangelo, S.V.R.; Moessen, G.W., The Thermodynamics of 1-Butyne from Calorimetric and Spectroscopic Data. Data, J. Am. Chem. Soc., 1950, 72, 5287. [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]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]

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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References