2-Butynedinitrile
- Formula: C4N2
- Molecular weight: 76.0562
- IUPAC Standard InChI: InChI=1S/C4N2/c5-3-1-2-4-6
- IUPAC Standard InChIKey: ZEHZNAXXOOYTJM-UHFFFAOYSA-N
- CAS Registry Number: 1071-98-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Acetylenedicarbonitrile; Dicyanoacetylene; 1,2-Dicyanoacetylene; NCC≡CCN; Dicyanoethyne; Sous-azote de carbone; C4N2
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Gas phase thermochemistry data
Go To: Top, 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 |
|---|---|---|---|---|---|
| ΔfH°gas | 533.46 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1961 |
| ΔfH°gas | 529.3 | kJ/mol | Ccb | Armstrong and Marantz, 1963 | Correction of Armstrong and Marantz, 1960; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 290.11 | J/mol*K | Review | Chase, 1998 | Data 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 | 75.60488 | 129.7793 |
| B | 70.61086 | 3.927480 |
| C | -29.19311 | -0.764036 |
| D | 3.452336 | 0.051342 |
| E | -0.734589 | -14.12284 |
| F | 505.5695 | 462.7922 |
| G | 357.6889 | 404.6660 |
| H | 533.4600 | 533.4600 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1961 | Data last reviewed in March, 1961 |
References
Go To: Top, Gas phase 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]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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