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SpeciesProperties.R
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# Species Properties
# --------- Molecular weights -------
mWCO2 = 44.01 ; mWCO = 28.01 ; mWCH4 = 16.04; mWNO = 30.01 ; mWNO2 = 46.0055 ; mWHONO = 47
mWOC = 12 ; mWCH2O = 30.031 ; mWC2H6 = 30.07 ; mWSO2 = 64.066 ; mWCHOCHO =58.04 ; mWCH3COCHO = 72.06
mWN2O5 =108.01; mWBrCN = 105.921; mWBrCl =115.357
mWBrO = 95.904; mWCH3COOCl = MolecularWeight(formula=list(C=2,Cl=1, H=3,O=2)); mWCl2 = 70.9 ;mWClNO2= 81.46
mWHCOOH= 46.03; mWHNCO= 43.03 ; mWHPMTF= 108.12
mWPAN = 121.06 #C2H3NO5
mWAPAN = 133.1#C3H3NO5
mWPPN = 135.08 #C3H5NO5
mWPBN = 183.12 #C7H5NO3
mWMSA = 96.10 #CH4O3S
mWClO4 = 100.46
mWNH3 = MolecularWeight(formula=list(N=1, H=3))
mWHNO3 = MolecularWeight(formula=list( O=3,N=1, H=1))
mWHCN = MolecularWeight(formula=list( C=1,N=1, H=1))
mWPROPENEHP = MolecularWeight(formula=list( C=3,O=3, H=8))
mWPROPENEHN = MolecularWeight(formula=list( C=3,O=4, H=7, N=1))
mWPAA = MolecularWeight(formula=list( C=2,O=3, H=4))
mWIEPOX = MolecularWeight(formula=list( C=5,O=3, H=10))
mWGLYC = MolecularWeight(formula=list( C=2,O=2, H=4))
mWETHENEHN = MolecularWeight(formula=list(C=2, O=4, H=5, N=1))
mWETHENEHP = MolecularWeight(formula=list(C=2, O=3, H=6))
mWBUTENEHP = MolecularWeight(formula=list(C=4, O=3, H=10))
mWBUTENEHN = MolecularWeight(formula=list(C=4, O=4, H=9, N=1))
mWPHENOL = MolecularWeight(formula=list(C=6, O=1, H=6))
mWH2O2 = MolecularWeight(formula=list( O=2, H=2))
mWMHP = MolecularWeight(formula=list( C=1,O=2, H=4))
mWISOPN = MolecularWeight(formula=list( C=5,O=4, H=9, N=1))
mWISOPOOH = MolecularWeight(formula=list( C=5,O=3, H=10))
mWC6H10O5 = MolecularWeight(formula=list(C=6,H=10, O=5))
mWNH4 = MolecularWeight(formula=list(N=1,H=4))
mWSO4 = MolecularWeight(formula=list(S=1,O=4))
mWNO3 = MolecularWeight(formula=list(N=1,O=3))
mWO3 = MolecularWeight(formula=list(O=3))
mWI = MolecularWeight(formula=list(I=1))
mWSSA = 31.4 #?
mWCl = 35.453 ; mWBr = 79.904; mWK = 39.1
mWC6H5NO4 = MolecularWeight(formula=list(C=6,H=5, N=1, O=4))
mWHNO2 = MolecularWeight(formula=list(H=1, N=1, O=2))
mWCH3COCHO = MolecularWeight(formula=list(H=4, C=3, O=2))
mWCHOCHO = MolecularWeight(formula=list(H=2, C=2, O=2))
mWOCS= 60.075 #C1
mWHFC152a= 148.91 #C1
mWH1301= 148.910 #C1
mWC2HCl3= 131.4 #C2
mWCHBr2Cl= 208.28 #C1
mWiPropONO2= 105.09 #C3
mWx3Me2ButONO2= MolecularWeight(formula=list(H=11, C=5, O=3)) #C5
mWPropadiene= 40.0313 #C3
mWt2Butene= 56.106 #C4
mWx13Butadyine= 54.0916 #C 4
mWIsoprene= 68.12 #C5
mWX2Me1Butene= 70.13 #C5
mWx1Hexene= 84.1608 #6
mWnHeptane= 100.21 #7
mWx23Dimebutane= 86.1754 #6
mWx23DimePentane= 100.2 #7
mWMeCycPentane= 84.16 #6
mWToluene= 92.14 #7
mWEthynylBenzene= 102.133 #8
mWx2EthToluene= 120.19 #9
mWbPinene= 136.24 #C10
mWx2MeFuran= 82.1 #C5
mWAcetonePropanal= 58.08 #C3
mWNitromethane=61.04 #C1
mWDMS= 62.14; mWCFC12= 120.91; mWCFC11= 137.37; mWCFC113= 187.375; mWCFC114=170.92
mWHFC134a= 102.03; mWHFC365mfc= 148; mWHCFC22= 86.47; mWHCFC142b= NaN; mWHCFC141b= NaN; mWH2402= NaN; mWH1211= 165.36
mWCH3CCl3=MolecularWeight(formula=list(C=2,H=3,Cl=3))
mWCCl4=MolecularWeight(formula=list(C=1,Cl=4))
mWCHCl3=MolecularWeight(formula=list(C=1,H=1, Cl=3))
mWCH2Cl2=MolecularWeight(formula=list(C=1,H=2, Cl=2))
mWC2HCl3=MolecularWeight(formula=list(C=2,H=1, Cl=3))
mWC2Cl4=MolecularWeight(formula=list(C=2, Cl=4))
mWCH3Cl=MolecularWeight(formula=list(C=1, H=3, Cl=1))
mWCH3Br=MolecularWeight(formula=list(C=1, H=3, Br=1))
mWCH3I = MolecularWeight(formula=list(C=1, H=3, I=1))
mWCH2Br2= MolecularWeight(formula=list(C=1, H=2, Br=2))
mWCHBrCl2= MolecularWeight(formula=list(C=1, H=1,Cl=2, Br=2))
mWCHBr2Cl= MolecularWeight(formula=list(C=1, H=1,Cl=1, Br=2))
mWCHBr3 = MolecularWeight(formula=list(C=1, H=1, Br=3))
mWCH2ClCH2Cl=MolecularWeight(formula=list(C=2, H=4, Cl=2))
mWC2H5Cl=MolecularWeight(formula=list(C=2, H=5, Cl=1))
mWMeONO2 = 77.04
mWEthONO2 = 91.07
MWx2ButONO2iButONO2 =119.12;
mWnPropONO2 = 105.09; mWx2ButONO2 =119.12; mWx3PentONO2 = 133.15; mWx2PentONO2 = 133.15
mWEthane = MolecularWeight(formula=list(C=2, H=6)); mWEthene = MolecularWeight(formula=list(C=2, H=4))
mWEthyne = MolecularWeight(formula=list(C=2, H=2)); mWPropene =MolecularWeight(formula=list(C=3, H=6))
mWPropane = MolecularWeight(formula=list(C=3, H=8))
mWPropyne = MolecularWeight(formula=list(C=3, H=4));
mWiButane = MolecularWeight(formula=list(C=4, H=10)); mWnButane = 58.1; mWx1Butene = 56.11; mWiButene = MolecularWeight(formula=list(C=4, H=8))
mWc2Butene = 56.106; mWx13Butadiene = 54.0916; mWx12Butadiene = 54.09; mWx1Buten3yne = 52.07
mWx1Butyne = 54.091; mWx2Butyne = 54.0904; mWiPentane = MolecularWeight(formula=list(C=5, H=12)); mWnPentane =MolecularWeight(formula=list(C=5, H=12))
mWx1Pentene = 70.134; mWt2Pentene = 70.134; mWc2Pentene =70.134; mWX3Me1Butene = 70.13
mWX2Me2Butene = 70.13; mWx13Pentadienes = 68.12; mWx3Me1PenteneAnd4Me1Pentene = 84.16
mWx1Heptene = 98.1861; mWx1Octene = 112.24; mWx1Nonene = 126.24 ; mWx1Decene = 140.266; mWnHexane = 86.18
mWnOctane = 114.23; mWnNonane = 128.2; mWnDecane = 142.29; mWnUndecane = 156.31; mWx22Dimebutane = 86.17
mWx2MePentane = 86.18; mWx3MePentane = 86.178; mWx2MeHexane = 100.2; mWx3MeHexane = 100.2
mWx224TrimePentane =114.23; mWx234TrimePentane = 114.23; mWCycPentane =70.1
mWCycHexane =84.162; mWMeCycHexane = 98.186; mWCycPentene = 68.11; mWBenzene = MolecularWeight(formula=list(C=6, H=6))
mWEthBenzene = MolecularWeight(formula=list(C=8, H=10)); mWmpXylene = 106.16 ; mWoXylene = 106.16; mWStyrene = 104.15
mWiPropBenzene = 120.19; mWnPropBenzene =120.19 ; mWx3EthToluene = 120.19; mWx4EthToluene =120.19
mWx135rimeBenzene = 120.19; mWx124rimeBenzene = 120.19; mWClBenzene =MolecularWeight(formula=list(C=6, H=5,Cl=1)); mWaPinene = 136.24
mWTricyclene = MolecularWeight(formula=list(C=10, H=16)); mWCamphene = 136.24; mWMyrcene = 136.24; mWLimonene = 136.24; mWFuran =68.07
mWx3MeFuran = 82.102; mWBenzFuran = 118.10; mWiButanal = 72.11; mWButanal = 72.11
mWMEK = MolecularWeight(formula=list(C=4, H=8,O=1))
mWMAC = 70.09; mWMVK = 70.09; mWAcrolein = MolecularWeight(formula=list(C=3, H=4, O=1)); mWiPropanol = 60.1
mWAcrylonitrile = 53.06; mWPropNitrile = 55.08; mWMeAcetate = 74.08
mWdimebutane = 86.1754; mWdimepentane = 100.2
mWch3cn = MolecularWeight(formula=list(C=2, H=3,N=1))
mWmformate = 60.05 ; mW13Pentadiene=68.12
mwPyrrole = 67.09 ; mWMBO = 86.13;
mWCH3OH = MolecularWeight(formula=list(C=1, H=4,O=1))
mWC2H5OH= MolecularWeight(formula=list(C=2, H=6,O=1))
mWAcetaldehyde = MolecularWeight(formula=list(C=2, H=4,O=1))
mWpropanal = 58.08 ; mWfurfural = 96.0846
mWMeFormate=60.05 ; mW2MeFuran=82.1 ;mW3MeFuran=82.1
mWEthynylBenzene = 102.136 ; mWCH3SH = 48.11 ; mWCS2 = 76.13
mWCH2ClI = 176.38 ; mW2Butenals = 70.0898 ; mWMeAcrylonitrile = 100.121
mWSyringol = 154.16;mWGlycolaldehydeCH3COOH =60.052 ; mWHAC = 74.08
mW2Furanone = 84.07336 ; mW23butanedione = 86.09; mWDimeFuran=96.13; mWMaleicAnhyd=98.06; mWBenzNitrile=103.04
mWBenzaldehyde = 106.12; mWC8Aromatics=mWoXylene;
mWC7H8O=108.14; mWCatecholx5MeFurfural=110.11
mWC9Aromatics=120.19; mWC6H4O3=124.09; mWGuaiacol=124.14; mWNaphthalene=128.1705;mWMonoterpenes = mWLimonene
mWCresol=108.14
mWNitrocatechol = 155
mWNitrocresol = 153
mWNitromethylcatechol = 169
mWDHT = 124
mWNitrophenol = 139
# -------- Number of carbon atoms --------
nCOCS=NaN; nCDMS=NaN; nCCFC12=NaN; nCCFC11=NaN; nCCFC113=NaN; nCCFC114=NaN; nCHFC152a=NaN; nCHFC134a=NaN
nCHFC365mfc=NaN; nCHCFC22=NaN; nCHCFC142b=NaN; nCHCFC141b=NaN; nCH1301=NaN; nCH2402=NaN; nCH1211=NaN; nCCH3CCl3=NaN; nCCCl4=NaN; nCCHCl3=NaN; nCCH2Cl2=NaN; nCCH2ClI=NaN
nCC2HCl3=NaN; nCC2Cl4=NaN; nCCH3Cl=NaN; nCCH3Br=NaN; nCCH3I=NaN; nCCH2Br2=NaN; nCCHBrCl2=NaN
nCCHBr2Cl=NaN; nCCHBr3=NaN; nCCH2ClCH2Cl=NaN; nCC2H5Cl=NaN; nCMeONO2=1; nCEthONO2=2
nCiPropONO2=3; nCnPropONO2=3; nCx2ButONO2=4; nCx3PentONO2=5; nCx2PentONO2=5
nCx3Me2ButONO2=5; nCEthane=2; nCEthene=2; nCEthyne=2; nCPropene=3; nCPropane=3
nCPropadiene=3; nCPropyne=3; nCiButane=4; nCnButane=4; nCx1Butene=4; nCiButene=4
nCt2Butene=4; nCc2Butene=4; nCx13Butadiene=4; nCx12Butadiene=4; nCx1Buten3yne=5
nCx13Butadyine=4; nCx1Butyne=4; nCx2Butyne=4; nCiPentane=5; nCnPentane=5
nCIsoprene=5; nCx1Pentene=5; nCt2Pentene=5; nCc2Pentene=5; nCX3Me1Butene=4
nCX2Me1Butene=5; nCX2Me2Butene=5; nCx13Pentadienes=5; nCx3Me1PenteneAnd4Me1Pentene=5
nCx1Hexene=6; nCx1Heptene=7; nCx1Octene=8; nCx1Nonene=9; nCx1Decene=10; nCnHexane=6
nCnHeptane=7; nCnOctane=8; nCnNonane=9; nCnDecane=10; nCnUndecane=11; nCx22Dimebutane=6
nCx23Dimebutane=4; nCx2MePentane=5; nCx3MePentane=5; nCx2MeHexane=6; nCx3MeHexane=6
nCx23DimePentane=5; nCx224TrimePentane=5; nCx234TrimePentane=5; nCCycPentane=5
nCMeCycPentane=5; nCCycHexane=6; nCMeCycHexane=5; nCCycPentene=5; nCBenzene=6
nCToluene=7; nCEthBenzene=8; nCmpXylene=8; nCoXylene=8; nCStyrene=8
nCEthynylBenzene=8; nCiPropBenzene=9; nCnPropBenzene=9; nCx3EthToluene=9; nCx4EthToluene=9
nCx2EthToluene=9; nCx135rimeBenzene=9; nCx124rimeBenzene=9; nCClBenzene=6; nCaPinene=10
nCbPinene=10; nCTricyclene=10; nCCamphene=10; nCMyrcene=10; nCLimonene=10; nCFuran=4
nCx2MeFuran=5; nCx3MeFuran=5; nCBenzFuran=8; nCiButanal=4; nCButanal=4
nCAcetonePropanal=3; nCMEK=4; nCMAC=4; nCMVK=4; nCAcrolein=3; nCiPropanol=3
nCNitromethane=1; nCAcrylonitrile=3; nCPropNitrile=3; nCMeAcetate=3
nCMeFormate = 2
nCx2ButONO2iButONO2=4; nCCH2ClI = 1; nCCS2 = 1; nCCH3SH = 1; nCCH2O = 1
nCAcetaldehyde = 2; nCpropanal = 3; nCButanal=4; nC2Butenals=4
nCCH3OH=1; nCC2H5OH=2 ; nCMBO =5; nCfurfural=5; nCHCN = 1; nCch3cn=2
nCMeAcrylonitrile=4; nCPyrrole=4
# ----------- OH rate -----------
TEMP=298 # K
OHpropeneHP = 1.90E-12*exp(190/TEMP) # HYPROPO2H from the MCM
OHetheneHP = 1.38E-11 #HYETHO2H from the MCM
OHbuteneHP = 3E-11 #NBUTOLAOOH from the MCM
OHch2o = 5.4E-12*exp(135/TEMP)
OHc2h6 = 6.9E-12*exp(-1000/TEMP)
OHch3chocho = 1.9E-12*exp(575/TEMP)
OHchocho = 3.1E-12*exp(340/TEMP)
OHhcooh = 4.5E-13 #MCM
OHhnco=7E-16
OHHCN= 2.20E-14
OHCH3OH= 8.95E-13
OHCH3CN= 2.00E-14
OHCH3CHO= 1.50E-11
OHC2H5OH= 3.20E-12
OHAcrylonitrile= 4.00E-12
OHAcrolein= 2.00E-11
OHAcetonePropanal= 1.70E-13
OHGlycolaldehydeCH3COOH= 3.68E-12 # Glycoaldehyde = 1.00E-11 CH3COOH 8.00D-13
OHCH3NO2= 2.00E-14
OHDMS= 6.00E-12
OHC4H5N= 1.11E-10
OHFuran= 4.00E-11
OHMVKMAC= 2.48E-11
OHC4Carbonyls= 5.46E-12
OHC3H6O2= 2.20E-12
OHBenzene= 1.22E-12
OHx2MeFuranx3MeFuran= 3.71E-11
OHx2Furanone= 4.45E-11
OHx23Butanedione=0.8E-12 # koss et al., 2018
OHToluene= 5.63E-12
OHPhenol= 2.80E-11
OHFurfural= 3.56E-11
OHDimeFurans= 1.32E-10
OHMaleicAnhyd= 3.93E-13
OHBenzNitrile= 1.00E-12
OHStyrene= 5.80E-11
OHBenzaldehyde= 1.20E-11
OHC8Aromatics= 1.32E-11
OHC7H8O= 2.62E-11
OHCatecholx5MeFurfural= 8.01E-11
OHBenzFuran= 3.70E-11
OHC9Aromatics= 2.20E-11
OHC6H4O3= 4.60E-12
OHGuaiacol= 7.50E-11
OHNaphthalene= 2.30E-11
OHMonoterpenes= 1.63E-10
OHCreosols= 1.00E-10
OHSyringol=1.00E-10
OHHPMTF=1.4E-12# VERES et al, https://www.pnas.org/content/117/9/4505
#KMT15 from MCM
M = (6.022E23)*(1.013E5)/(8.31*TEMP)/1E6
K150 = 8.6E-29*M*(TEMP/300)^-3.1
K15I=9.0E-12*(TEMP/300)^-0.85
KR15 = K150/K15I
FC15 = 0.48
NC15 = 0.75-1.27*(log10(FC15))
F15=10^(log10(FC15)/(1+(log10(KR15)/NC15)^2))
OHEthene = (K150*K15I)*F15/(K150+K15I)
# KMT17 from MCM
K170= 5.0E-30*M*(TEMP/300)^-1.5
K17I= 1.0E-12
KR17= K170/K17I
FC17= 0.17*exp(-51/TEMP)+exp(-TEMP/204)
NC17= 0.75-1.27*(log10(FC17))
F17 =10^(log10(FC17)/(1.0+(log10(KR17)/NC17)^2))
OHEthyne = (K170*K17I*F17)/(K170+K17I)
#KMT 16
K160= 8E-27*M*(TEMP/300)^-3.5
K16I= 3.0E-11*(TEMP/300)^-1
KR16= K160/K16I
FC16= 0.5
NC16= 0.75-1.27*(log10(FC16))
F16 =10^(log10(FC16)/(1+(log10(KR16)/NC16)^2))
OHPropene =(K160*K16I)*F16/(K160+K16I)
OHPropane=7.6E-12*exp(-585/TEMP)
OHiButane=3.70E-12
OHnButane = 2.44E-17*TEMP^2*exp(183/TEMP)
OHx1Butene=6.6E-12*exp(465/TEMP)
OHx13Butadiene=1.48E-11*exp(448/TEMP)
OHnPentane=2.44E-17*TEMP^2*exp(183/TEMP)
OHIsoprene=2.70E-11*exp(390/TEMP)
OHx1Pentene=5.86E-12*exp(500/TEMP)
OHx1Hexene=3.70E-11
OHnHexane=1.53E-17*TEMP^2*exp(414/TEMP)
OHnHeptane = 1.59E-17*TEMP^2*exp(478/TEMP)
OHnOctane = 2.76E-17*TEMP^2*exp(378/TEMP)
OHnNonane = 2.51E-17*TEMP^2*exp(447/TEMP)
OHnDecane=3.13E-17*TEMP^2*exp(416/TEMP)
OHnUndecane=1.29E-11
OHx22Dimebutane=3.22E-11*exp(-781/TEMP)
OHx23Dimebutane=1.24E-17*TEMP^2*exp(494/TEMP)
OHx2MePentane=5.30E-12
OHx3MePentane=5.40E-12
OHx2MeHexane=6.86E-12
OHx3MeHexane=7.15E-12
OHEthBenzene = 7.00E-12
OHmpXylene = 2.31E-11 # OH for m xylene
OHoXylene = 1.36E-11
OHStyrene =5.80E-11
OHaPinene = 1.2E-11*exp(440/TEMP)
OHbPinene=2.38E-11*exp(357/TEMP)
OHLimonene = 4.28E-11*exp(401/TEMP)
OHButanal=6.0E-12*exp(410/TEMP)
OHMEK = 1.5E-12*exp(-90/TEMP)
OHMAC = 8.0E-12*exp(380/TEMP)
OHMVK = 2.6E-12*exp(610/TEMP)
OHMeAcetate=8.54E-19*TEMP^2*exp(455/TEMP)
OHEthONO2=6.7E-13*exp(-395/TEMP)
OHiPropBenzene=5.80E-12 # MCM Propylbenzene
OHnPropBenzene=5.80E-12 #MCM Propylbenzene
OHx2EthToluene=1.19E-11
# unknown monoterpenes -
OHTricyclene= 2.86E-12 #https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.550241108
OHCamphene=5.33E-11 #https://www.sciencedirect.com/science/article/pii/096016869090144C
OHMyrcene=2.3E-10 #https://acp.copernicus.org/preprints/acp-2021-556/
#Other unknown
OHx2MeFuran=7.31E-11 #https://pubmed.ncbi.nlm.nih.gov/21309547/
OHx3MeFuran=8.73E-11 #https://pubmed.ncbi.nlm.nih.gov/21309547/
OHPropyne=5.71E-12 #https://www.researchgate.net/publication/231405918_Rate_constants_and_mechanisms_for_the_reaction_of_OH_OD_radicals_with_acetylene_propyne_and_2-butyne_in_air_at_297_2_K
OHx2Butyne=3.01E-11 #https://www.researchgate.net/publication/231405918_Rate_constants_and_mechanisms_for_the_reaction_of_OH_OD_radicals_with_acetylene_propyne_and_2-butyne_in_air_at_297_2_K
OHiPropanol= 3.21E-12#https://pubs.acs.org/doi/pdf/10.1021/j100501a001
OHiButanal=6.0E-12*exp(410/TEMP) # MCM, C3H7CHO
OHC2H5Cl=7.78E-18*TEMP^2*exp(-152/TEMP)
OHiPentane=3.70E-12
OHMBO=8.1E-12*exp(610/TEMP) # MCM
OHpyrrole=1.20E-10 #https://www.sciencedirect.com/science/article/pii/0004698184901963
OHpropanal=4.9E-12*exp(405/TEMP)
OHMeONO2=4.0E-13*exp(-845/TEMP)
OHOCS=NaN; #Carbonyl sulfide
OHCFC12=NaN; OHCFC11=NaN; OHCFC113=NaN; OHCFC114=NaN;
OHHFC152a=NaN; OHHFC134a=NaN; OHHFC365mfc=NaN; OHHCFC22=NaN; OHHCFC142b=NaN; OHHCFC141b=NaN;
OHH1301=NaN; OHH2402=NaN; OHH1211=NaN; OHCH3CCl3=NaN; OHCCl4=NaN; OHCHCl3=NaN; OHCH2Cl2=NaN;
OHC2HCl3=NaN; OHC2Cl4=NaN; OHCH3Cl=NaN; OHCH3Br=NaN; OHCH3I=NaN; OHCH2Br2=NaN; OHCHBrCl2=NaN;
OHCHBr2Cl=NaN; OHCHBr3=NaN; OHCH2ClCH2Cl=NaN;
OHiPropONO2=NaN; OHnPropONO2=NaN; OHx2ButONO2=NaN; OHx3PentONO2=NaN; OHx2PentONO2=NaN;
OHx3Me2ButONO2=NaN; OHPropadiene=8.51E-22*TEMP^3.05 *exp(2215/TEMP); #https://pubs.acs.org/doi/10.1021/acs.jpca.6b04387
OHiButene=9.4E-12*exp(505/TEMP); # MCM for isobutene
OHt2Butene=1.01E-11*exp(550/TEMP); # MCM
OHc2Butene=1.10E-11*exp(487/TEMP); # MCM
OHc2Pentene=6.54E-11;OHt2Pentene=6.69E-11;OHx135rimeBenzene=5.67E-11;OHX2Me1Butene=6.07E-11;OHX3Me1Butene=5.32E-12*exp(533/TEMP)# MCM
#www.atmos-chem-phys.net/15/13915/2015/
OHx1Octene=36E-12; OHx1Heptene=38E-12;OHx1Decene=46E-12; OHMeCycHexane=9.6E-12;OHx12Butadiene=27E-12; OHx1Buten3yne=20E-12;
OHx13Butadyine=16E-12; OHx1Butyne=8E-12; OHX2Me2Butene=87E-12; OHx13Pentadienes=83E-12; OHx3Me1PenteneAnd4Me1Pentene=55E-12; # closest is Pentene_1_2methyl
OHx1Nonene=42E-12
OHx23DimePentane=5.2E-12; OHx224TrimePentane=5.2E-12; #Pentane_3methyl
OHx234TrimePentane=OHx224TrimePentane; OHCycPentane=4.8E-12;
OHMeAcrylonitrile=4E-12 # closest Propenenitrile_2 (Acrylonitrile)
OHCycHexane=7E-12; OHCycPentene=57E-12; OHNitromethane=0.02E-12
OHEthynylBenzene=1E-12;OHx124rimeBenzene=32E-12; OHMeCycPentane=8.6E-12; OHt13Pentadiene=83E-12;OHx2Butenals=35E-12
OHx3EthToluene=1.92e-11 #https://pubchem.ncbi.nlm.nih.gov/compound/3-Ethyltoluene#section=Vapor-Pressure
OHx4EthToluene=1.21e-11 #https://pubchem.ncbi.nlm.nih.gov/compound/4-Ethyltoluene#section=Vapor-Pressure
OHClBenzene=1.01E-11*exp(-2490/TEMP) #https://pubs.acs.org/doi/abs/10.1021/jp9049186
OHPropNitrile=1.94e-13 #https://pubchem.ncbi.nlm.nih.gov/compound/Propionitrile#section=Henrys-Law-Constant
OHCS2=1.5E-15 #https://pubs.acs.org/doi/10.1021/j100457a003 carbon disulfide
OHCH3SH=3.29e-11 #https://pubchem.ncbi.nlm.nih.gov/compound/methanethiol
OHCH2ClI=NaN
OHMeFormate=9.39E-13*exp(-461/TEMP) #MCM
OHx24DiMePentane=5.16e-12 # https://pubchem.ncbi.nlm.nih.gov/compound/2_4-Dimethylpentane#section=Vapor-Pressure
OHH2O2 = 2.9E-12*exp(-160/298) # MCM
K120 =2.5E-31*M*(TEMP/300)^(-2.6)
K12I= 2.0E-12
KR12= K120/K12I
FC12= 0.53
NC12= 0.75-1.27*(log10(FC12))
F12 =10^(log10(FC12)/(1.0+(log10(KR12)/NC12)^2))
OHSO2 =(K120*K12I*F12)/(K120+K12I) #MCM
OHOCS = 5.3E-15 #https://www.sciencedirect.com/science/article/pii/S0009261417302178
OHNitrocatechol = 3.47E-12 # MCM
OHNitrocresol = NA
OHNitromethylcatechol = 6.83E-12 # MCM MNCATECH
OHNitrophenol = 9.00E-13 #MCM
OHCresol = 4.65E-11
OHDHT = 2E-10 # MCM mcatechol