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
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ISM Abundance
log10 Abundance | Reference | Source Name | Source Type | Link |
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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 | Emean (K) | Emin (K) | Emax (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). |
Emean (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