2-Butynedinitrile

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Gas phase thermochemistry data

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

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

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 

Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil349.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Δvap28.9kJ/molN/AArmstrong and Marantz, 1963DRB
Quantity Value Units Method Reference Comment
Δsub44.246kJ/molVSaggiomo, 1957Hfusion=3.700 kcal/mol; ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
27.3310.AStephenson and Malanowski, 1987Based on data from 295. to 350. K.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
44.3268.ISAGGIOMO, 1957Based on data from 263. to 273. K. See also Govers, 1975 and Stephenson and Malanowski, 1987.; AC

References

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Saggiomo, 1957
Saggiomo, A.J., The dinitriles of acetylenedicarboxylic and polyacetylenedicarboxylic acids. I. Dicyanoacetylene and dicycanodiacetylene, J. Org. Chem., 1957, 22, 1171. [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]

SAGGIOMO, 1957
SAGGIOMO, ANDREW J., The Dinitriles of Acetylenedicarboxylic and Polyacetylenedicarboxylic Acids. 1 I. 2 Dicyanoacetylene and Dicyanodiacetylene, J. Org. Chem., 1957, 22, 10, 1171-1175, https://doi.org/10.1021/jo01361a009 . [all data]

Govers, 1975
Govers, H.A.J., Derivation of carbon--nitrogen, hydrogen--nitrogen and nitrogen--nitrogen non-bonded potential parameters in molecular crystals, Acta Crystallogr Sect A Cryst Phys Diffr Theor Gen Crystallogr', 1975, 31, 3, 380-385, https://doi.org/10.1107/S0567739475000800 . [all data]


Notes

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