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: 31005-02-4
SMILES : c12OC(=O)C=Cc1ccc(OCC)c2
CHEM : 7-ETHOXYCOUMARIN
MOL FOR: C11 H10 O3
MOL WT : 190.20
------------------------------ 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) = 2.08
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 332.88 (Adapted Stein & Brown method)
Melting Pt (deg C): 81.88 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.58E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0128 (Modified Grain method)
Subcooled liquid VP: 0.000335 mm Hg (25 deg C, Mod-Grain method)
: 0.0446 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 813.1
log Kow used: 2.08 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 122.24 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Acrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.46E-007 atm-m3/mole (5.53E-002 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: 2.949E-008 atm-m3/mole (2.988E-003 Pa-m3/mole)
VP: 9.58E-005 mm Hg (source: MPBPVP)
WS: 813 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.08 (KowWin est)
Log Kaw used: -4.651 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.731
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9631
Biowin2 (Non-Linear Model) : 0.9987
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8609 (weeks )
Biowin4 (Primary Survey Model) : 3.8794 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7721
Biowin6 (MITI Non-Linear Model): 0.8416
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6990
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0447 Pa (0.000335 mm Hg)
Log Koa (Koawin est ): 6.731
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.72E-005
Octanol/air (Koa) model: 1.32E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00242
Mackay model : 0.00534
Octanol/air (Koa) model: 0.000106
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 38.3041 E-12 cm3/molecule-sec
Half-Life = 0.279 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.351 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec
Half-Life = 0.546 Days (at 7E11 mol/cm3)
Half-Life = 13.097 Hrs
Fraction sorbed to airborne particulates (phi):
0.00388 (Junge-Pankow, Mackay avg)
0.000106 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 146 L/kg (MCI method)
Log Koc: 2.164 (MCI method)
Koc : 116.4 L/kg (Kow method)
Log Koc: 2.066 (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 v3.01):
Log BCF from regression-based method = 1.043 (BCF = 11.03 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.8780 days (HL = 0.1324 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.003 (BCF = 10.06)
Log BAF Arnot-Gobas method (upper trophic) = 1.003 (BAF = 10.06)
log Kow used: 2.08 (estimated)
Volatilization from Water:
Henry LC: 5.46E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1480 hours (61.68 days)
Half-Life from Model Lake : 1.626E+004 hours (677.7 days)
Removal In Wastewater Treatment:
Total removal: 2.36 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.23 percent
Total to Air: 0.03 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.434 4.43 1000
Water 26.8 360 1000
Soil 72.5 720 1000
Sediment 0.203 3.24e+003 0
Persistence Time: 453 hr