* MASTER List of primary species * includes AIRCRAFT, DIESEL, GASOLINE, BIOBURNING_Alma emissions * ---------------------------------- * * this file is read up to the keyword END. * Comment lines (* as first character) can be placed * anywhere in the file. * * the chemical formula must start with a "C,c,-O" in the first column * (or a # for special formula), and end with a space. * * If many primary VOCs, it's better to sort the list of primary VOC, * starting with the species having the lowest carbon chain length, * For species having the same chain length, sort from more oxidized * species to more reduced species. *********************************************************************** * numbers refer to # carbons (not 'nodes') ************************************ * CH3OH * 1: methanol CH2O * 1: formaldehyde (is automatically included) *----------------- CH3CH3 * 2: ethane CdH2=CdH2 * 2: ethene #ethyne * 2: acetylene CH3CHO * 2: acetaldehyde CH3CH2(OH) * 2: ethanol *----------------- CH3CH2CH3 * 3: propane CH3CdH=CdH2 * 3: propene #propyne * 3: propyne CH3CH(OH)CH3 * 3: i-propanol CH3CH2CHO * 3: propanal CH3COCH3 * 3: acetone CHOCdH=CdH2 * 3: acrolein *----------------- CH3CH2CH2CH3 * 4: n-butane CH3CH(CH3)CH3 * 4: i-butane (methylpropane) CH3CH2CdH=CdH2 * 4: 1-butene CH3CdH=CdHCH3 * 4: 2-butene CH3Cd(CH3)=CdH2 * 4: i-butene (methylpropene) CdH2=CdHCdH=CdH2 * 4: 1,3-butadiene CH3CH2CH2CHO * 4: butanal CH3CH2COCH3 * 4: methylethylketone CH3COCdH=CdH2 * 4: methyl vinyl ketone CH3CdH=CdHCHO * 4: 2-butenal (crotonaldhyde) CH3Cd(CHO)=CdH2 * 4: methacrolein CH3CH2-O-COCH3 * 4: ethyl acetate #bb-O1-CdH=CdHCdH=Cd1H * 4: furan *----------------- CH3CH2CH2CH2CH3 * 5: n-pentane CH3CH2CH(CH3)CH3 * 5: i-pentane (2-methyl butane) C1H2CH2CH2CH2C1H2 * 5: cyclopentane CH3C(CH3)(CH3)CH3 * 5: 2,2-dimethylpropane CH3CH2CH2CdH=CdH2 * 5: 1-pentene CH3CH2CdH=CdHCH3 * 5: 2-pentene C1H2CH2CdH=CdHC1H2 * 5: cyclo-pentene CH3CH2Cd(CH3)=CdH2 * 5: 2-methyl-1-butene CH3CH(CH3)CdH=CdH2 * 5: 3-methyl-1-butene CH3CdH=Cd(CH3)CH3 * 5: 2-methyl-2-butene CH3CdH=CdHCdH=CdH2 * 5: 1,3-pentadiene #CH3Cd(=CdH2)CdH=CdH2 * 5: 2-methyl-1,3-butadiene (isoprene) C1H2CdH=CdHCdH=Cd1H * 5: 1,3-cyclopentadiene CH3CH2CH2CH2CHO * 5: valeraldehyde (pentanal) CH3-O-C(CH3)(CH3)CH3 * 5: methyl-tert-butyl-ether CH3C(OOH)(CH2(OH))CdH=CdH2 * 5: 1,2-ISOPOOH CH2(OH)CH(OOH)Cd(CH3)=CdH2 * 5: 4,3-ISOPOOH #bb-O1-CdH=CdHCdH=Cd1CH3 * 5: 2-methyl furan #bb-O1-CdH=CdHCd(=Cd1H)CH3 * 5: 3-methyl furan #bb-O1-CdH=CdHCdH=Cd1CHO * 5: furfural #bb-O1-CdH=CdHCd(=Cd1H)CHO * 5: 3-furaldehyde #bb-O1-CdH=CdHCdH=Cd1CH2(OH) * 5: 2-furan methanol *------------------- CH3CH2CH2CH2CH2CH3 * 6: n-hexane C1H2CH2CH2CH2CH2C1H2 * 6: cyclohexane CH3CH(CH3)CH2CH2CH3 * 6: 2-methylpentane CH3CH2CH(CH3)CH2CH3 * 6: 3-methylpentane C1H2CH2CH2CH2C1HCH3 * 6: methyl-cyclopentane CH3CH2C(CH3)(CH3)CH3 * 6: 2,2-dimethylbutane CH3CH(CH3)CH(CH3)CH3 * 6: 2,3-dimethylbutane CH3CH2CH2CH2CdH=CdH2 * 6: 1-hexene CH3CH2CdH=CdHCH2CH3 * 6: 2-hexene CH3CH2CH2CdH=CdHCH3 * 6: 3-hexene C1H2CH2CdH=CdHCH2C1H2 * 6: cyclohexene CH3CH2CH2Cd(CH3)=CdH2 * 6: 2-methyl-1-pentene CH3CH2CH(CH3)CdH=CdH2 * 6: 3-methyl-1-pentene CH3CH(CH3)CH2CdH=CdH2 * 6: 4-methyl-1-pentene CH3CH2CdH=Cd(CH3)CH3 * 6: 2-methyl-2-pentene CH3CH2Cd(CH3)=CdHCH3 * 6: 3-methyl-2-pentene CH3CdH=CdHCH(CH3)CH3 * 6: 4-methyl-2-pentene C1H2CH2CH2CdH=Cd1CH3 * 6: 1-methylcyclopentene C1H2CH2CdH=CdHC1HCH3 * 6: 3-methylcyclopentene CH3CH(CH3)Cd(CH3)=CdH2 * 6: 2,3-dimethyl-1-butene CH3C(CH3)(CH3)CdH=CdH2 * 6: 3,3-dimethyl-1-butene CH3CH2CdH=CdHCdH=CdH2 * 6: 1,3-hexadiene C1H2CdH=CdHCdH=CdHC1H2 * 6: 1,3-cyclohexadiene C1H2CdH=CdHCd(=Cd1H)CH3 * 6: 1-methyl,1,3-cyclopentadiene CH3CH2CH2CH2CH2CHO * 6: hexanal CH3CH2CH2CH2CH2CH2(OH) * 6: 1-hexanol CH3CH2-O-C(CH3)(CH3)CH3 * 6: 1-ethyl-tert-butyl-ether -O1-CdH=CdHCdH=Cd1CH2CH3 * 6: 2-ethyl furan -O1-Cd(CH3)=CdHCdH=Cd1CH 3 * 6: 2,5-dimethyl furan #mmc1HcHcHcHcHc1H * 6: benzene : AR0002 #mmc1HcHcHc(OH)cHc1H * 6: phenol : AR0005 #mmc1HcHc(OH)c(OH)cHc1H * 6: catechol : AR0015 *------------------- CH3CH2CH2CH2CH2CH2CH3 * 7: n-heptane CH3CH2CH2CH2CH(CH3)CH3 * 7: 2-methylhexane CH3CH2CH2CH(CH3)CH2CH3 * 7: 3-methylhexane C1H2CH2CH2CH2CH2C1HCH3 * 7: methylcyclohexane CH3CH2CH(CH2CH3)CH2CH3 * 7: 3-ethylpentane C1H2CH2CH2CH2C1HCH2CH3 * 7: ethylcyclopentane CH3CH2CH2C(CH3)(CH3)CH3 * 7: 2,2-dimethylpentane CH3CH2CH(CH3)CH(CH3)CH3 * 7: 2,3-dimethylpentane CH3CH(CH3)CH2CH(CH3)CH3 * 7: 2,4-dimethylpentane CH3CH2C(CH3)(CH3)CH2CH3 * 7: 3,3-dimethylpentane CH3C1HCH2CH2CH2C1HCH3 * 7: 1,2-dimethylcyclopentane C1H2CH(CH3)CH2CH2C1HCH3 * 7: 1,3-dimethylcyclopentane CH3CH(CH3)C(CH3)(CH3)CH3 * 7: 2,2,3-trimethylbutane CH3CH2CH2CH2CH2CdH=CdH2 * 7: 1-heptene CH3CH2CH2CH2CdH=CdHCH3 * 7: 2-heptene CH3CH2CH2CdH=CdHCH2CH3 * 7: 3-heptene CH3CH2CH2CH(CH3)CdH=CdH2 * 7: 3-methyl-1-hexene CH3CH2CH2CdH=Cd(CH3)CH3 * 7: 2-methyl-2-hexene CH3CH2CH2Cd(CH3)=CdHCH3 * 7: 3-methyl-2-hexene CH3CdH=CdHCH(CH3)CH2CH3 * 7: 4-methyl-2-hexene CH3CH2CdH=CdHCH(CH3)CH3 * 7: 2-methyl-3-hexene CH3CH2CdH=Cd(CH3)CH2CH3 * 7: 3-methyl-3-hexene CH3CH2Cd(CH2CH3)=CdHCH3 * 7: 3-ethyl-2-pentene CH3CH(CH3)CH2Cd(CH3)=CdH2 * 7: 2,4-dimethyl-1-pentene CH3CH(CH3)CH(CH3)CdH=CdH2 * 7: 3,4-dimethyl-1-pentene CH3CH2Cd(CH3)=Cd(CH3)CH3 * 7: 2,3-dimethyl-2-pentene CH3CH(CH3)CdH=Cd(CH3)CH3 * 7: 2,4-dimethyl-2-pentene #mmc1HcHcHcHcHc1CH3 * 7: toluene : AR0084 #mmc1HcHcHcHcHc1CHO * 7: benzaldehyde : AR0102 *------------------- CH3CH2CH2CH2CH2CH2CH2CH3 * 8: n-octane CH3CH2CH2CH2CH2CH(CH3)CH3 * 8: 2-methylheptane CH3CH2CH2CH2CH(CH3)CH2CH3 * 8: 3-methylheptane CH3CH2CH2CH(CH3)CH2CH2CH3 * 8: 4-methylheptane C1H2CH2CH2CH2CH2CH2C1HCH3 * 8: ethylcyclohexane CH3CH2CH2CH2C(CH3)(CH3)CH3 * 8: 2,2-dimethylhexane CH3CH2CH2CH(CH3)CH(CH3)CH3 * 8: 2,3-dimethylhexane CH3CH2CH(CH3)CH2CH(CH3)CH3 * 8: 2,4-dimethylhexane CH3CH(CH3)CH2CH2CH(CH3)CH3 * 8: 2,5-dimethylhexane CH3CH2CH2C(CH3)(CH3)CH2CH3 * 8: 3,3-dimethylhexane CH3CH2CH(CH3)CH(CH3)CH2CH3 * 8: 3,4-dimethylhexane CH3C1HCH2CH2CH2CH2C1HCH3 * 8: 1,2-dimethylcyclohexane C1H2CH(CH3)CH2CH2CH2C1HCH3 * 8: 1,3-dimethylcyclohexane C1H2CH2CH(CH3)CH2CH2C1HCH3 * 8: 1,4-dimethylcyclohexane CH3CH(CH3)CH2C(CH3)(CH3)CH3 * 8: 2,2,4-trimethylpentane CH3CH2C(CH3)(CH3)CH(CH3)CH3 * 8: 2,3,3-trimethylpentane CH3CH(CH3)CH(CH3)CH(CH3)CH3 * 8: 2,3,4-trimethylpentane C1H2CH2CH(CH3)CH2C1HCH2CH3 * 8: 1-methyl-3-ethylcyclopentane CH3C1HCH2CH2CH(CH3)C1HCH3 * 8: 1,2,3-trimethylcyclopentane CH3C1HCH2CH(CH3)CH2C1HCH3 * 8: 1,2,4-trimethylcyclopentane CH3CH2CH2CH2CH2CH2CdH=CdH2 * 8: 1-octene CH3CH2CH2CH2CH2CdH=CdHCH3 * 8: 2-octene CH3CH2CH2CdH=CdHCH2CH2CH3 * 8: 4-octene CH3C(CH3)(CH3)CH2Cd(CH3)=CdH2 * 8: 2,4,4-trimethyl-1-pentene CH3Cd(CH3)=CdHC(CH3)(CH3)CH3 * 8: 2,4,4-trimethyl-2-pentene CH3CH2CH2CH2CH2CH2CH2CH2(OH) * 8: 1-octanol * DGBE = 2-(2-Butoxyethoxy)ethanol aka butyl carbitol CH3CH2CH2CH2-O-CH2CH2-O-CH2CH2(OH) * 8: DEG monobutyl ether (DGBE), C8_O3 #mmc1HcHcHcHcHc1CH2CH3 * 8: ethylbenzene : AR0403 #mmCH3c1cHcHcHcHc1CH3 * 8: o-xylene : AR0167 #mmc1Hc(CH3)cHcHcHc1CH3 * 8: m-xylene : AR0245 #mmc1HcHc(CH3)cHcHc1CH3 * 8: p-xylene : AR0332 #mmc1HcHcHcHcHc1CdH=CdH2 * 8: styrene : AR0486 #mmCH3c1cHcHc(CHO)cHc1H * 8: m-tolualdehyde : AR0363 *------------------- CH3CH2CH2CH2CH2CH2CH2CH2CH3 * 9: n-nonane CH3CH2CH2CH2CH2CH2CH(CH3)CH3 * 9: 2-methyloctane CH3CH2CH2CH2CH2CH(CH3)CH2CH3 * 9: 3-methyloctane CH3CH2CH2CH2CH(CH3)CH2CH2CH3 * 9: 4-methyloctane CH3CH2CH2CH2CH(CH3)CH(CH3)CH3 * 9: 2,3-dimethylheptane CH3CH2CH2CH(CH3)CH2CH(CH3)CH3 * 9: 2,4-dimethylheptane CH3CH(CH3)CH2CH2CH2CH(CH3)CH3 * 9: 2,6-dimethylheptane CH3CH2CH(CH3)CH2CH(CH3)CH2CH3 * 9: 3,5-dimethylheptane CH3CH2CH(CH3)CH2C(CH3)(CH3)CH3 * 9: 2,2,4-trimethylhexane CH3CH(CH3)CH2CH2C(CH3)(CH3)CH3 * 9: 2,2,5-trimethylhexane CH3CH(CH3)CH2CH(CH3)CH(CH3)CH3 * 9: 2,3,5-trimethylhexane CH3CH2C(CH3)(CH3)CH2CH(CH3)CH3 * 9: 2,4,4-trimethylhexane C1H2CH2CH(CH3)CH2CH2C1HCH2CH3 * 9: 1,3,5-trimethylcyclohexane C1H2CH(CH3)CH2CH(CH3)CH2C1HCH3 * 9: 1-methyl-4-ethylcyclohexane CH3CH2CH2CH2CH2CH2CH2CdH=CdH2 * 9: 1-nonene CH3CH2CH2CH2CH2CH2CH2CH2CH2(OH) * 9: 1-nonanol #mmc1HcHcHcHcHc1CH2CH2CH3 * 9: n-propylbenzene : AR0497 #mmc1HcHcHcHcHc1CH(CH3)CH3 * 9: i-propylbenzene (1-methylethylbenzene) : AR0583 #mmCH3c1cHcHcHcHc1CH2CH3 * 9: 1-methyl-2-ethylbenzene (o-ethyltoluene) : AR0790 #mmc1Hc(CH3)cHcHcHc1CH2CH3 * 9: 1-methyl-3-ethylbenzene (m-ethyltoluene) : AR0860 #mmc1HcHc(CH3)cHcHc1CH2CH3 * 9: 1-methyl-4-ethylbenzene (p-ethyltoluene) : AR0916 #mmCH3c1cHcHcHc(CH3)c1CH3 * 9: 1,2,3-trimethylbenzene : AR0971 #mmCH3c1cHcHc(CH3)cHc1CH3 * 9: 1,2,4-trimethylbenzene : AR0666 #mmc1Hc(CH3)cHc(CH3)cHc1CH3 * 9: 1,3,5-trimethylbenzene : AR0745 *------------------- CH3CH2CH2CH2CH2CH2CH2CH2CH2CH3 * 10: n-decane CH3CH2CH2CH2CH2CH2CH2CH(CH3)CH3 * 10: 2-methylnonane CH3CH2CH2CH2CH2CH2C(CH3)(CH3)CH3 * 10: 2,2-dimethyloctane CH3CH2CH2CH2CH2CH(CH3)CH(CH3)CH3 * 10: 2,3-dimethyloctane CH3CH2CH2CH2CH(CH3)CH2CH(CH3)CH3 * 10: 2,4-dimethyloctane CH3CH2CH2CH(CH3)CH2CH2CH(CH3)CH3 * 10: 2,5-dimethyloctane CH3CH2CH(CH3)CH2CH2CH2CH(CH3)CH3 * 10: 2,6-dimethyloctane CH3CH2CH2CH2CH2C(CH3)(CH3)CH2CH3 * 10: 3,3-dimethyloctane CH3CH2CH2CH(CH3)CH2C(CH3)(CH3)CH3 * 10: 2,2,4-trimethylheptane CH3CH2CH(CH3)CH2CH2C(CH3)(CH3)CH3 * 10: 2,2,5-trimethylheptane C12HCH2CH(C1(CH3)CH3)CH2CdH=Cd2CH3 * 10: a-pinene *CH3C1(CH3)CH(CH2C12H)CH2CH2Cd2=CdH2 * 10: b-pinene (non-standard) C12HCH2CH(C1(CH3)CH3)CH2CH2Cd2=CdH2 * 10: b-pinene C1H2CH2Cd(CH3)=CdHCH2C1HCd(CH3)=CdH2 * 10: limonene #CH3Cd(CH3)=CdHCH2CH2Cd(=CdH2)CdH=CdH2 * 10: b-myrcene #CH3Cd(CH3)=CdHCH2CdH=Cd(CH3)CdH=CdH2 * 10: b-ocimene *CH3C1(CH3)C2HCH2CdH=Cd(CH3)CH2C12H * 10: carene (non-standard) C12HCH2Cd(CH3)=CdHCH2C2HC1(CH3)CH3 * 10: carene CH3C1(CH3)Cd(=CdH2)CH(C2H2)CH2CH2C12H * 10: camphene C1H2CH2Cd(CH3)=CdHCH2Cd1=Cd(CH3)CH3 * 10: terpinolene C1H2CdH=Cd(CH3)CH2CdH=Cd1CH(CH3)CH3 * 10: g-terpinene C12HCH2C1(CH(CH3)CH3)CdH=CdHC2HCH3 * 10: b-thujene CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2(OH) * 10: 1-decanol #mmc1Hc(CH3)cHc(CH3)cHc1CH2CH3 * 10: 1,3-dimethyl-5-ethylbenzene : AR1037 *------------------- CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 * 11: n-undecane #mmCH3CH2c(c1H)cHc(CH3)cHc1CH2CH3 * 11: 1,3-diethyl-5-methylbenzene : AR1076 *------------------- CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 * 12: n-dodecane CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CdH=CdH2 * 12: 1-dodecene CdH2=CdHCH2CH2CH2CH2CH2CH2CH2CH2CdH=CdH2 * 12: 1,11-dodecene CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2(OH) * 12: 1-dodecanol * Texanol = 2.2.4-trim,ethyl-1.3-pentanediol monoisobutyrate CH3CH(CH3)CO-O-CH2C(CH3)(CH3)CH(OH)CH(CH3)CH3 * 12: texanol, C12_H24_O3 *------------------- CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 * 13: n-tridecane *------------------- CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 * 14: n-tetradecane *------------------- CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 * 15: n-pentadecane CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CdH=CdH2 * 15: 1-pentadecene *------------------- END *------------------- * oxidised species: *------------------- CH3COCH3 * 3: acetone : K03000 CHOCdH=CdH2 * 3: acrolein : UD3000 CH3Cd(CHO)=CdH2 * 4: methacrolein : UD4000 CH3COCdH=CdH2 * 4: MVK : UK4000 CH3CdH=CdHCHO * 4: 2-butenal : UD4003(?) C1H2COCdH=CdHC1H2 * 5: 2-cyclopenten-1-one *------------------- * species we can't handle yet: *------------------- * 1: Carbon tetrachloride (CCl4) * 1: CFC-11 (CF2Cl2) * 2: CFC-113 (C2F3Cl3) * 2: acetonitrile (C2H3N) * 3: acrylonitrile (C3H3N) CdH2=Cd=CdH2 * 3: 1,2-propadiene (allene) CH3CdH=Cd=CdH2 * 4: 1,2-butadiene CH3CH2Ct≡CtH * 4: 1-butyne CH3Ct≡CtCH3 * 4: 2-butyne CdH2=CdHCt≡CtH * 4: 1-buten-3-yne CtH≡CtCt≡CtH * 4: 1,3-butadiyne (diacetylene) #__c2HcHcHcHc1CH2CH2CH2c12 * 9: 2,3-dihydroindene (benzocyclopentane, indan) * 10: b-caryophyllene * 10: cymene (4-i-propyltoluene) #__c1HcHcHcHcHc1CH2CH2CH2CH3 * 10: n-butylbenzene #__c1HcHcHcHcHc1CH(CH3)CH2CH3 * 10: sec-butylbenzene #__c1HcHcHcHcHc1CH(CH3)CH2CH3 * 10: (1-methylpropyl)benzene #__c1HcHcHcHcHc1CH2CH(CH3)CH3 * 10: (2-methylpropyl)benzene #__CH3CH2c1cHcHcHcHc1CH2CH3 * 10: 1,2-diethylbenzene #__c1Hc(CH2CH3)cHcHcHc1CH2CH3 * 10: 1,3-diethylbenzene #__c1HcHc(CH2CH3)cHcHc1CH2CH3 * 10: 1,4-diethylbenzene * 10: 1-methyl-2-n-propylbenzene * 10: 1-methyl-3-n-propylbenzene * 10: 1-methyl-4-n-propylbenzene * 10: 1-methyl-2-(1-methylethyl)benzene * 10: 1-methyl-3-(1-methylethyl)benzene * 10: 1-methyl-4-(1-methylethyl)benzene * 10: 1,2-dimethyl-3-ethylbenzene * 10: 1,2-dimethyl-4-ethylbenzene * 10: 1,3-dimethyl-2-ethylbenzene * 10: 1,3-dimethyl-4-ethylbenzene * 10: 1,4-dimethyl-2-ethylbenzene * 10: 1,2,3,4-tetramethylbenzene #__CH3c1cHc(CH3)c(CH3)cHc1CH3 * 10: 1,2,4,5-tetramethylbenzene * 10: 2-, 4- & 5-methylindan * 10: naphthalene * 11: n-pentylbenzene * 11: 1-methyl-2-n-butylbenzene * 11: 1-ethyl-2-n-propylbenzene * 11: 1-(1,1-dimethylethyl)-2-methylbenzene * 12: 1,3-di-n-propylbenzene * 12: 1-(1,1-dimethylethyl)-3,5-dimethylbenzene #__c1HcHcHcHcHc1CH2CH2CH2CH2CH2CH3 * 12: hexylbenzene