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
Electronic state

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KIDA CH3C6H

ISM Abundance  
log10 Abundance Reference Source Name Source Type Link
Polarizability  
Definition: total
Value 3): 14.911
Method: Calculations
Origin: Bibliography
Reference: Woon, D. E. et al. ;2009;Astrophysical Journal Supplement Series ;185,273-288
Dipole moment  
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  
Emean (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