The Master Chemical Mechanism

Inorganic Chemistry

• Thermal gas-phase reactions
• Gas-particle reactions
• Photolysis reactions

Alcohols and Glycols

• METHANOL (InChI=1S/CH4O/c1-2/h2H,1H3)
• ETHANOL (InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3)
• 1-PROPANOL (N-PROPANOL) (InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3)
• 2-PROPANOL (I-PROPANOL) (InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3)
• 1-BUTANOL (N-BUTANOL) (InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3)
• 2-BUTANOL (SEC-BUTANOL) (InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3)
• 2-METHYL-1-PROPANOL (I-BUTANOL) (InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3)
• 2-METHYL-2-PROPANOL (T-BUTANOL) (InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3)
• 3-PENTANOL (InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3)
• 2-METHYL-1-BUTANOL (InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3)
• 3-METHYL-1-BUTANOL (I-PENTANOL, I-AMYL ALCOHOL) (InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3)
• 2-METHYL-2-BUTANOL (InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3)
• 3-METHYL-2-BUTANOL (InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3)
• CYCLOHEXANOL (InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2)
• 4-HYDROXY-4-METHYL-2-PENTANONE (DIACETONE ALCOHOL) (InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3)
• ETHANE-1,2-DIOL (ETHYLENE GLYCOL) (InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2)
• PROPANE-1,2-DIOL (PROPYLENE GLYCOL) (InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3)
• 2-METHYL-3-BUTEN-2-OL (InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3)

Aldehydes

• METHANAL (FORMALDEHYDE) (InChI=1S/CH2O/c1-2/h1H2)
• ETHANAL (ACETALDEHYDE) (InChI=1S/C2H4O/c1-2-3/h2H,1H3)
• PROPANAL (PROPRIONALDEHYDE) (InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3)
• BUTANAL (BUTYRALDEHYDE) (InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3)
• METHYLPROPANAL (I-BUTYRALDEHYDE) (InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3)
• PENTANAL (VALERALDEHYDE) (InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3)
• PROPENAL (ACROLEIN) (InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2)
• 2-METHYLPROPENAL (METHACROLEIN) (InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3)
• 2-BUTENAL (CROTONALDEHYDE) (InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3)

Alkanes

• METHANE (InChI=1S/CH4/h1H4)
• ETHANE (InChI=1S/C2H6/c1-2/h1-2H3)
• PROPANE (InChI=1S/C3H8/c1-3-2/h3H2,1-2H3)
• N-BUTANE (InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3)
• 2-METHYL-PROPANE (I-BUTANE) (InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3)
• PENTANE (N-PENTANE) (InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3)
• 2-METHYLBUTANE (1-PENTANE) (InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3)
• 2,2-DIMETHYLPROPANE (NEO-PENTANE) (InChI=1S/C5H12/c1-5(2,3)4/h1-4H3)
• HEXANE (N-HEXANE) (InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3)
• 2-METHYLPENTANE (InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3)
• 3-METHYLPENTANE (InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3)
• 2,2-DIMETHYLBUTANE (InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3)
• 2,3-DIMETHYLBUTANE (InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3)
• HEPTANE (N-HEPTANE) (InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3)
• 2-METHYLHEXANE (InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3)
• 3-METHYLHEXANE (InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3)
• OCTANE (N-OCTANE) (InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3)
• NONANE (N-NONANE) (InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3)
• DECANE (N-DECANE) (InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3)
• HENDECANE (N-UNDECANE) (InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3)
• DODECANE (N-DODECANE) (InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3)
• CYCLOHEXANE (InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2)

Alkenes

• ETHENE (ETHYLENE) (InChI=1S/C2H4/c1-2/h1-2H2)
• PROPENE (PROPYLENE) (InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3)
• 1-BUTENE (InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3)
• CIS-2-BUTENE (InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3)
• TRANS-2-BUTENE (InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3)
• 2-METHYLPROPENE (I-BUTENE) (InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3)
• 1-PENTENE (InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3)
• CIS-2-PENTENE (InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-)
• TRANS-2-PENTENE (InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+)
• 2-METHYL-1-BUTENE (InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3)
• 3-METHYL-1-BUTENE (InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3)
• 2-METHYL-2-BUTENE (InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3)
• 1-HEXENE (InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3)
• CIS-2-HEXENE (InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-)
• TRANS-2-HEXENE (InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+)
• 2,3-DIMETHYL BUT-2-ENE (InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3)

Alkynes

• ETHYNE (ACETYLENE) (InChI=1S/C2H2/c1-2/h1-2H)

Aromatics

• BENZENE (InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H)
• METHYLBENZENE (TOLUENE) (InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3)
• 1,2-DIMETHYL BENZENE (O-XYLENE) (InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3)
• 1,3-DIMETHYL BENZENE (M-XYLENE) (InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3)
• 1,4-DIMETHYL BENZENE (P-XYLENE) (InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3)
• ETHYL BENZENE (InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3)
• N-PROPYL BENZENE (InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3)
• I-PROPYL BENZENE (CUMENE) (InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3)
• 1,2,3-TRIMETHYL BENZENE (HEMIMELLITENE) (InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3)
• 1,2,4-TRIMETHYL BENZENE (PSEUDOCUMENE) (InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3)
• 1,3,5-TRIMETHYL BENZENE (MESITYLENE) (InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3)
• 1-ETHYL 2-METHYL BENZENE (O-ETHYL TOLUENE) (InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3)
• 1-ETHYL 3-METHYL BENZENE (M-ETHYL TOLUENE) (InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3)
• 1-ETHYL 4-METHYL BENZENE (P-ETHYL TOLUENE) (InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3)
• 1,3-DIMETHYL 5-ETHYL BENZENE (3,5-DIMETHYL ETHYL BENZENE) (InChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3)
• 1,3-DIETHYL 5-METHYLBENZENE (3,5-DIETHYL TOLUENE) (InChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3)
• ETHENYL BENZENE (STYRENE) (InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2)
• BENZENECARBONAL (BENZALDEHYDE) (InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H)

Chloro and Hydrochlorocarbons

• CHLOROMETHANE (METHYL CHLORIDE) (InChI=1S/CH3Cl/c1-2/h1H3)
• DICHLOROMETHANE (METHYLENE DICHLORIDE) (InChI=1S/CH2Cl2/c2-1-3/h1H2)
• TRICHLOROMETHANE (CHLOROFORM) (InChI=1S/CHCl3/c2-1(3)4/h1H)
• 1,1,1-TRICHLOROETHANE (METHYL CHLOROFORM) (InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3)
• TETRA-CHLOROETHENE (PER-CHLOROETHYLENE) (InChI=1S/C2Cl4/c3-1(4)2(5)6)
• TRI-CHLOROETHENE (InChI=1S/C2HCl3/c3-1-2(4)5/h1H)
• CIS-1,2-DICHLOROETHENE (InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-)
• TRANS-1,2-DICHLOROETHENE (InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+)
• 1,2-DICHLOROETHANE (InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2)
• 1,1-DICHLOROETHENE (InChI=1S/C2H2Cl2/c1-2(3)4/h1H2)
• 1,2-DICHLOROPROPANE (InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3)
• 1,1-DICHLOROETHANE (InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3)
• CHLOROETHANE (InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3)
• 1,1,2,2-TETRACHLOROETHANE (InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H)
• 1,1,2-TRICHLOROETHANE (InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2)
• CHLOROETHENE (VINYL CHLORIDE) (InChI=1S/C2H3Cl/c1-2-3/h2H,1H2)

Dialkenes

• 1-3 BUTADIENE (InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2)
• 2-METHYL-1,3-BUTADIENE (ISOPRENE) (InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3)

Esters

• METHYL FORMATE (InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3)
• METHYL ACETATE (InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3)
• ETHYL ACETATE (InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3)
• N-PROPYL ACETATE (InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3)
• I-PROPYL ACETATE (InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3)
• N-BUTYL ACETATE (InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3)
• S-BUTYL ACETATE (InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3)
• T-BUTYL ACETATE (InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3)

Ethers and Glycol Ethers

• DIMETHYL ETHER (InChI=1S/C2H6O/c1-3-2/h1-2H3)
• DIETHYL ETHER (InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3)
• METHYL T-BUTYL ETHER (InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3)
• DI I-PROPYL ETHER (InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3)
• ETHYL T-BUTYLETHER (InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3)
• 2-METHOXY ETHANOL (InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3)
• 2-ETHOXY ETHANOL (InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3)
• 1-METHOXY 2-PROPANOL (InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3)
• 2-BUTOXY ETHANOL (InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3)
• 1-BUTOXY 2-PROPANOL (InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3)

Hydrobromocarbons

• BROMOMETHANE (InChI=1S/CH3Br/c1-2/h1H3)
• 1,2-DIBROMOETHANE (InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2)

Ketones

• PROPANONE (ACETONE) (InChI=1S/C3H6O/c1-3(2)4/h1-2H3)
• BUTANONE (METHYL ETHYL KETONE) (InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3)
• 2-PENTANONE (METHYL N-PROPYL KETONE) (InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3)
• 3-PENTANONE (DIETHYL KETONE) (InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3)
• 3-METHYL 2-BUTANONE(METHYL I-PROPYL KETONE) (InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3)
• 2-HEXANONE (METHYL N-BUTYL KETONE) (InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3)
• 3-HEXANONE (ETHYL N-PROPYL KETONE) (InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3)
• 4-METHYL 2-PENTANONE (METHYL I-BUTYL KETONE) (InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3)
• 3,3-DIMETHYL 2-BUTANONE (METHYL T-BUTYL KETONE) (InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3)
• CYCLOHEXANONE (InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2)

Monoterpenes

• ALPHA-PINENE (InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3)
• BETA-PINENE (InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3)
• LIMONENE (InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3)

Sesquiterpenes

• BETA-CARYOPHYLLENE (InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-)

Organic Acids

• METHANOIC ACID (InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3))
• ETHANOIC ACID (InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4))
• PROPANOIC ACID (InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5))

Unclassified

• DIMETHOXY METHANE (InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3)
• DIMETHYL CARBONATE (InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3)
• DIMETHYL SULPHIDE (InChI=1S/C2H6S/c1-3-2/h1-2H3)
• ETHYLENE OXIDE (OXIRANE) (InChI=1S/C2H4O/c1-2-3-1/h1-2H2)