The Master Chemical Mechanism
VERSION 3.3.1
MCMv3.2 Archive site
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Generic rate parameters
Complex rate coefficients
Simple rate coefficients
Photolysis rates
Select a primary VOC
Inorganic Section
Alcohols and Glycols
Aldehydes
Alkanes
Alkenes
Alkynes
Aromatics
Chloro and Hydrochlorocarbons
Dialkenes
Esters
Ethers and Glycol Ethers
Hydrobromocarbons
Ketones
Monoterpenes
Sesquiterpenes
Organic Acids
Unclassified
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
)
Andrew Rickard
,
Jenny Young
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