This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 1617-53-4
SMILES : c1cc(ccc1C2=CC(=O)c3c(O2)c(c(cc3O)O)c4c(ccc(c4)C5=CC(=O)c6c(cc(cc6O5)
O)O)O)O
CHEM : amentoflavone
MOL FOR: C30 H18 O10
MOL WT : 538.47
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 5.46
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 840.45 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.71E-024 (Modified Grain method)
VP (Pa, 25 deg C) : 4.94E-022 (Modified Grain method)
Subcooled liquid VP: 1.9E-020 mm Hg (25 deg C, Mod-Grain method)
: 2.53E-018 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.03344
log Kow used: 5.46 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.00065519 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Ketones
Vinyl/Allyl Ethers
Phenols, Poly
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.74E-032 atm-m3/mole (3.79E-027 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: 7.861E-023 atm-m3/mole (7.965E-018 Pa-m3/mole)
VP: 3.71E-024 mm Hg (source: MPBPVP)
WS: 0.0334 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.46 (KowWin est)
Log Kaw used: -29.816 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 35.276
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.4635
Biowin2 (Non-Linear Model) : 0.9879
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1863 (months )
Biowin4 (Primary Survey Model) : 3.4188 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2160
Biowin6 (MITI Non-Linear Model): 0.0108
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2087
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): 2.53E-018 Pa (1.9E-020 mm Hg)
Log Koa (Koawin est ): 35.276
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.18E+012
Octanol/air (Koa) model: 4.63E+022
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 = 261.6700 E-12 cm3/molecule-sec
Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 29.431 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 21.000000 E-17 cm3/molecule-sec
Half-Life = 0.055 Days (at 7E11 mol/cm3)
Half-Life = 1.310 Hrs
Reaction With Nitrate Radicals May Be Important!
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 : 2.296E+006 L/kg (MCI method)
Log Koc: 6.361 (MCI method)
Koc : 2.814E+005 L/kg (Kow method)
Log Koc: 5.449 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 2.684 (BCF = 483.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.4295 days (HL = 0.00372 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.081 (BCF = 12.06)
Log BAF Arnot-Gobas method (upper trophic) = 1.081 (BAF = 12.06)
log Kow used: 5.46 (estimated)
Volatilization from Water:
Henry LC: 3.74E-032 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.633E+028 hours (1.514E+027 days)
Half-Life from Model Lake : 3.963E+029 hours (1.651E+028 days)
Removal In Wastewater Treatment:
Total removal: 87.76 percent
Total biodegradation: 0.74 percent
Total sludge adsorption: 87.01 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 1.25e-011 0.561 1000
Water 1.34 1.44e+003 1000
Soil 43.4 2.88e+003 1000
Sediment 55.3 1.3e+004 0
Persistence Time: 6.07e+003 hr