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
State	Ground State

Search all reactions with CH2CHCHCH2

KIDA CH2CHCHCH2

ISM Abundance

log₁₀ Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å³)	Method	Origin	Reference
	total	8.076	Calculations	Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE

Definition: total Value (Å³): 8.076 Method: Calculations Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference:

Dipole moment

Evaluation	Value (D)	Method	Origin	Reference
	0	N/A	Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE

Value (D): 0 Method: N/A Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference:

Enthalpy of formation

Evaluation	T (K)	Value (kJ.mol^-1)	Method	Origin	Reference
	0	125.118 ±8	Reviews and Evaluations	Database : Burcat
	298	110.834 ±8	Reviews and Evaluations	Database : Burcat
	298	109.2 ±0.6	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)
	0	124.5 ±0.6	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)

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

Evaluation	E_mean (K)	E_min (K)	E_max (K)	Pre-exponential factor (s^-1)	Order factor	Method	Origin	Reference	Type of surface	Description
	5987	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 C4H5+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).

E_mean (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