CH2CHCHCH2

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Species data
Common Formula CH2CHCHCH2
Stoichiometric Formula C4H6
Name 1,3-Butadiene
Mass   54.04695 a.m.u
Charge   0
CAS   106-99-0
Inchi InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InchiKey KAKZBPTYRLMSJV-UHFFFAOYSA-N
Electronic State
Excitation Ground State

Search all reactions with CH2CHCHCH2


ISM Abundance  
log10 Abundance Reference Source Name Source Type Link
Polarizability  
Definition: total
Value 3): 8.076
Method: Calculations
Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE
Reference:
Dipole moment  
Value (D): 0
Method: N/A
Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE
Reference:
Enthalpy of formation  
T (K): 0
Value (kJ.mol-1) : 125.118 ±8
Method: Reviews and Evaluations
Origin: Other database
Reference:
T (K): 298
Value (kJ.mol-1) : 110.834 ±8
Method: Reviews and Evaluations
Origin: Other database
Reference:
T (K): 298
Value (kJ.mol-1) : 109.2 ±0.6
Method: Measurements
Origin: Other database
Reference:
T (K): 0
Value (kJ.mol-1) : 124.5 ±0.6
Method: Measurements
Origin: Other database
Reference:
Desorption energy  
Emean (K): 5987
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 C4H5+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