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CAS Number: 72928-45-1
SMILES : O=C(OC(C=C)(CCC=C(C)C)C)c(c(N=CC(=Cc(cccc1)c1)CCCCCC)ccc2)c2
CHEM : Benzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, 1-ethenyl-1,
5-dimethyl-4-hexenyl ester
MOL FOR: C32 H41 N1 O2
MOL WT : 471.69
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 10.82
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 534.04 (Adapted Stein & Brown method)
Melting Pt (deg C): 213.77 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.66E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 4.88E-009 (Modified Grain method)
Subcooled liquid VP: 3.74E-009 mm Hg (25 deg C, Mod-Grain method)
: 4.98E-007 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.242e-007
log Kow used: 10.82 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6.3639e-006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Schiff Bases
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.96E-005 atm-m3/mole (3.00E+000 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: 3.639E-005 atm-m3/mole (3.687E+000 Pa-m3/mole)
VP: 3.66E-011 mm Hg (source: MPBPVP)
WS: 6.24E-007 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.82 (KowWin est)
Log Kaw used: -2.917 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.737
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7498
Biowin2 (Non-Linear Model) : 0.9097
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4052 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5167 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1220
Biowin6 (MITI Non-Linear Model): 0.0173
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.9545
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): 4.99E-007 Pa (3.74E-009 mm Hg)
Log Koa (Koawin est ): 13.737
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.02
Octanol/air (Koa) model: 13.4
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.995
Mackay model : 0.998
Octanol/air (Koa) model: 0.999
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 214.6973 E-12 cm3/molecule-sec
Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.598 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 131.899994 E-17 cm3/molecule-sec
Half-Life = 0.009 Days (at 7E11 mol/cm3)
Half-Life = 12.511 Min
Fraction sorbed to airborne particulates (phi):
0.997 (Junge-Pankow, Mackay avg)
0.999 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.242E+008 L/kg (MCI method)
Log Koc: 8.094 (MCI method)
Koc : 6.988E+006 L/kg (Kow method)
Log Koc: 6.844 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.440E-002 L/mol-sec
Kb Half-Life at pH 8: 1.525 years
Kb Half-Life at pH 7: 15.247 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.656 (BCF = 45.25 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.9455 days (HL = 88.21 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.491 (BCF = 3.094)
Log BAF Arnot-Gobas method (upper trophic) = 3.673 (BAF = 4713)
log Kow used: 10.82 (estimated)
Volatilization from Water:
Henry LC: 2.96E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 45.17 hours (1.882 days)
Half-Life from Model Lake : 674.9 hours (28.12 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 0.00606 0.178 1000
Water 12 900 1000
Soil 62.5 1.8e+003 1000
Sediment 25.5 8.1e+003 0
Persistence Time: 1.39e+003 hr