2-Butynedinitrile

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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

Quantity Value Units Method Reference Comment
Δfgas533.46kJ/molReviewChase, 1998Data last reviewed in March, 1961
Δfgas529.3kJ/molCcbArmstrong and Marantz, 1963Correction of Armstrong and Marantz, 1960; ALS
Quantity Value Units Method Reference Comment
gas,1 bar290.11J/mol*KReviewChase, 1998Data last reviewed in March, 1961

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 75.60488129.7793
B 70.610863.927480
C -29.19311-0.764036
D 3.4523360.051342
E -0.734589-14.12284
F 505.5695462.7922
G 357.6889404.6660
H 533.4600533.4600
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1961 Data last reviewed in March, 1961

Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid500.4kJ/molCcbArmstrong and Marantz, 1963Correction of Armstrong and Marantz, 1960
Quantity Value Units Method Reference Comment
Δcliquid-2074.4 ± 1.3kJ/molCcbArmstrong and Marantz, 1963Reanalyzed by Cox and Pilcher, 1970, Original value = -2073. ± 0.8 kJ/mol; Correction of Armstrong and Marantz, 1960
Quantity Value Units Method Reference Comment
Δcsolid-2156.kJ/molCcbMoureu and Bongrand, 1920 

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

2-Butynedinitrile + 1,3 Diphenylisobenzofuran = C24H16N2O

By formula: C4N2 + C20H14O = C24H16N2O

Quantity Value Units Method Reference Comment
Δr-129.kJ/molKinSamuilov, Nurullina, et al., 1983liquid phase; solvent: Nonaquous

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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]

Armstrong and Marantz, 1963
Armstrong, G.T.; Marantz, S., The heat of combustion of dicyanoacetylene [Correction Ref. 60ARM/MAR], J. Phys. Chem., 1963, 67, 2888. [all data]

Armstrong and Marantz, 1960
Armstrong, G.T.; Marantz, S., The heat of combustion of dicyanoacetylene, J. Phys. Chem., 1960, 64, 1776-1778. [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]

Moureu and Bongrand, 1920
Moureu, M.C.; Bongrand, J.Ch., Thermochimie. - Nouvelles recherches sur le sous-azolure de carbone. Action des halogenes, des acides halohydriques et des alcools, Compt. Rend., 1920, 170, 1025-1028. [all data]

Samuilov, Nurullina, et al., 1983
Samuilov, Ya.D.; Nurullina, R.L.; Konovalov, A.I., Thermochemical and kinetic study of the Diels-Alder reaction with ethylene and acetylene dienophiles, Zh. Org. Khim., 1983, 19, 1431-1435. [all data]


Notes

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