CH3COCH3

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Species data

Common Formula	CH3COCH3
Stoichiometric Formula	C2H6CO
Name	acetone
Mass	58.04186 a.m.u
Charge	0
CAS	67-64-1
Inchi	InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InchiKey	CSCPPACGZOOCGX-UHFFFAOYSA-N
State	Ground State

Search all reactions with CH3COCH3

KIDA CH3COCH3

ISM Abundance

log₁₀ Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å³)	Method	Origin	Reference
	total	6.096	Measurements	Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE

Definition: total Value (Å³): 6.096 Method: Measurements Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference:

Dipole moment

Evaluation	Value (D)	Method	Origin	Reference
	2.88 ±0.03	Measurements	Bibliography	Lide, D. R.. ;2004;

Value (D): 2.88 ±0.03 Method: Measurements Origin: Bibliography Reference: Lide, D. R.. ;2004;

Enthalpy of formation

Evaluation	T (K)	Value (kJ.mol^-1)	Method	Origin	Reference
	0	-199.39 ±0.37	Reviews and Evaluations	Database : Burcat
	298	-214.814 ±0.37	Reviews and Evaluations	Database : Burcat
	298	-217.1	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)
	0	-200.5	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)

T (K): 0 Value (kJ.mol^-1) : -199.39 ±0.37 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : -214.814 ±0.37 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : -217.1 Method: Measurements Origin: Other database Reference:
T (K): 0 Value (kJ.mol^-1) : -200.5 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
	3500	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 CH3+CH3+CO The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).

E_mean (K): 3500 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 CH3+CH3+CO 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