l-C3H

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Species data

Common Formula	l-C3H
Stoichiometric Formula	HC3
Name	2-Propynylidene -
Mass	37.00783 a.m.u
Charge	0
CAS	53590-28-6
Inchi	InChI=1S/C3H/c1-3-2/h1H
InchiKey	WWDRUPNDOSDMRD-UHFFFAOYSA-N
State	Ground State

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KIDA l-C3H

ISM Abundance

log₁₀ Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å³)	Method	Origin	Reference
	total	5.359	Calculations	Bibliography	Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288

Definition: total Value (Å³): 5.359 Method: Calculations Origin: Bibliography Reference: Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288

Dipole moment

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

Value (D): 3.532 Method: Calculations 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
	0	714.091 ±8	Reviews and Evaluations	Database : Burcat
	298	719.393 ±8	Reviews and Evaluations	Database : Burcat
	298	727 ±8	Measurements	Bibliography	Costes, M. et al. ;2009;Astrophysical Journal;703, 1179-1187

T (K): 0 Value (kJ.mol^-1) : 714.091 ±8 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : 719.393 ±8 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : 727 ±8 Method: Measurements Origin: Bibliography Reference: Costes, M. et al. ;2009;Astrophysical Journal;703, 1179-1187

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
	4000 ±1200	0	0	0.00E+0	1	Calculations	Bibliography	Wakelam, V. et al. ;2017;ArXiv e-prints;,	H2O	To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation.
	2937	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 C2H + C. The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).

E_mean (K): 4000 ±1200 E _min (K): 0 E _max (K): 0 Pre-exponential factor (s^-1): 0.00E+0 Method: Calculations Origin: Bibliography Reference: Wakelam, V. et al. ;2017;ArXiv e-prints;, Type of surface: H2O Description: To estimate the unknown binding energies (for most of the radicals for example), we have developed a model founded on the stabilization energy of the complex between the various species and one water molecule. Then, we assume that the binding energy of the species with ASW is proportional to the energy of interaction between this species and one water molecule. To determine the proportionality coefficients, we fit the dependency of the experimental binding energies versus the calculated energies of the complexes for 16 stable molecules. Uncertainties in ED is estimated to be 30%. The preexponential factor is to be computed using the Hasegawa et al. (1992) approximation. Evaluation:
E_mean (K): 2937 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 C2H + C. 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