CH3C6H

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Species data

Common Formula	CH3C6H
Stoichiometric Formula	CH3C6H
Name	hepta-1,3,5-triyne
Mass	88.03130 a.m.u
Charge	0
CAS	66486-68-8
Inchi	InChI=1S/C7H4/c1-3-5-7-6-4-2/h1H,2H3
InchiKey	RZZZNMYNZMTPRN-UHFFFAOYSA-N
State	Ground State

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KIDA CH3C6H

ISM Abundance

log₁₀ Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å³)	Method	Origin	Reference
	total	14.911	Calculations	Bibliography	Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288

Definition: total Value (Å³): 14.911 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
	1.435	Calculations	Bibliography	Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288

Value (D): 1.435 Method: Calculations Origin: Bibliography Reference: Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288

Enthalpy of formation

No data

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
	7487	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 C7H4 The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).

E_mean (K): 7487 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 C7H4 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