NC4N

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Species data

Common Formula	NC4N
Stoichiometric Formula	NC4N
Name	2-Butynedinitrile
Mass	76.00615 a.m.u
Charge	0
CAS	1071-98-3
Inchi	InChI=1S/C4N2/c5-3-1-2-4-6
InchiKey	ZEHZNAXXOOYTJM-UHFFFAOYSA-N
State	Ground State

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KIDA NC4N

ISM Abundance

log₁₀ Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å³)	Method	Origin	Reference
	total	8.873	Calculations	Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE

Definition: total Value (Å³): 8.873 Method: Calculations Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference:

Dipole moment

Evaluation	Value (D)	Method	Origin	Reference
	0	N/A	Bibliography	Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288

Value (D): 0 Method: N/A Origin: Bibliography Reference: Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288

Enthalpy of formation

Evaluation	T (K)	Value (kJ.mol^-1)	Method	Origin	Reference
	298	533.46 ±0.8	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)
	0	528.6 ±0.8	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)

T (K): 298 Value (kJ.mol^-1) : 533.46 ±0.8 Method: Measurements Origin: Other database Reference:
T (K): 0 Value (kJ.mol^-1) : 528.6 ±0.8 Method: Measurements Origin: Other database Reference:

Desorption energy

Evaluation	E_mean (K)	E_min (K)	E_max (K)	Pre-exponential factor (s^-1)	Order factor	Method	Origin	Reference	Type of surface	Description
	4200	0	0	0.00E+0	1	Estimation	Database : OSU		H2O	This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).

E_mean (K): 4200 E _min (K): 0 E _max (K): 0 Pre-exponential factor (s^-1): 0.00E+0 Method: Estimation Origin: Other database Reference: Type of surface: H2O Description: This binding energy was listed in the original OSU gas-grain code from Eric Herbst group in 2006. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992). Evaluation:

Diffusion energy

No data