C4H3

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Species data

Common Formula	C4H3
Stoichiometric Formula	C4H3
Name	1-buten-3-ynyl
Mass	51.02348 a.m.u
Charge	0
CAS
Inchi	InChI=1S/C4H3/c1-3-4-2/h1-3H
InchiKey	GQMYNBIOBOYFNG-UHFFFAOYSA-N
State	Ground State

Search all reactions with C4H3

KIDA C4H3

ISM Abundance

log₁₀ Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å³)	Method	Origin	Reference
	total	7.14	Calculations	Private communication	(M06-2X/VQZ//MP2/VTZ, Gaussian 2009), JC Loison

Definition: total Value (Å³): 7.14 Method: Calculations Origin: Private communication Reference: (M06-2X/VQZ//MP2/VTZ, Gaussian 2009), JC Loison

Dipole moment

Evaluation	Value (D)	Method	Origin	Reference
	0.53	Calculations	Private communication	(MP2/VTZ Gaussian 2009), JC Loison

Value (D): 0.53 Method: Calculations Origin: Private communication Reference: (MP2/VTZ Gaussian 2009), JC Loison

Enthalpy of formation

Evaluation	T (K)	Value (kJ.mol^-1)	Method	Origin	Reference
	0	545.65 ±8	Reviews and Evaluations	Database : Burcat
	298	543.104 ±8	Reviews and Evaluations	Database : Burcat
	298	498 ±10	Calculations	Bibliography	Wheeler, S.E. et al. ;2004;Journal of Chemical Physics;121,8800

T (K): 0 Value (kJ.mol^-1) : 545.65 ±8 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : 543.104 ±8 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : 498 ±10 Method: Calculations Origin: Bibliography Reference: Wheeler, S.E. et al. ;2004;Journal of Chemical Physics;121,8800

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
	4637	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. Energy of C4H2+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).

E_mean (K): 4637 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. Energy of C4H2+H 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