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CAS Number: 980-71-2
SMILES : Brc2ccc(cc2)C(c1ncccc1)CCN(OC(=O)CCC(=O)O)(C)C
CHEM : BROMPHENIRAMINE MALEATE
MOL FOR: C20 H24 Br1 N2 O4
MOL WT : 436.33
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 0.62
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 661.98 (Adapted Stein & Brown method)
Melting Pt (deg C): 288.26 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.06E-015 (Modified Grain method)
VP (Pa, 25 deg C) : 2.75E-013 (Modified Grain method)
Subcooled liquid VP: 1.72E-012 mm Hg (25 deg C, Mod-Grain method)
: 2.3E-010 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.639e+004
log Kow used: 0.62 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 18.019 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.47E-023 atm-m3/mole (1.49E-018 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 4.482E-020 atm-m3/mole (4.541E-015 Pa-m3/mole)
VP: 2.06E-015 mm Hg (source: MPBPVP)
WS: 2.64E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.62 (KowWin est)
Log Kaw used: -21.221 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 21.841
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4023
Biowin2 (Non-Linear Model) : 0.0051
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1745 (months )
Biowin4 (Primary Survey Model) : 3.3630 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0263
Biowin6 (MITI Non-Linear Model): 0.0094
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3262
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.29E-010 Pa (1.72E-012 mm Hg)
Log Koa (Koawin est ): 21.841
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.31E+004
Octanol/air (Koa) model: 1.7E+009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.1055 E-12 cm3/molecule-sec
Half-Life = 0.507 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.081 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1199 L/kg (MCI method)
Log Koc: 3.079 (MCI method)
Koc : 2.401 L/kg (Kow method)
Log Koc: 0.380 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.587E+000 L/mol-sec
Kb Half-Life at pH 8: 2.237 days
Kb Half-Life at pH 7: 22.366 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5842 days (HL = 0.2605 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.115 (BCF = 1.302)
Log BAF Arnot-Gobas method (upper trophic) = 0.115 (BAF = 1.302)
log Kow used: 0.62 (estimated)
Volatilization from Water:
Henry LC: 1.47E-023 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.32E+019 hours (3.467E+018 days)
Half-Life from Model Lake : 9.076E+020 hours (3.782E+019 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 7.73e-011 12.2 1000
Water 9.26 1.44e+003 1000
Soil 90 2.88e+003 1000
Sediment 0.732 1.3e+004 0
Persistence Time: 2.82e+003 hr