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CAS Num: 000140-67-0
SMILES : O(c(ccc(c1)CC=C)c1)C
CHEM : Benzene, 1-methoxy-4-(2-propenyl)-
MOL FOR: C10 H12 O1
MOL WT : 148.21
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.47
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 209.93 (Adapted Stein & Brown method)
Melting Pt (deg C): -1.19 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.165 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 22 (Mean VP of Antoine & Grain methods)
BP (exp database): 215.5 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 84.55
log Kow used: 3.47 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 178 mg/L (25 deg C)
Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 31.112 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.62E-004 atm-m3/mole (4.68E+001 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: 3.806E-004 atm-m3/mole (3.856E+001 Pa-m3/mole)
VP: 0.165 mm Hg (source: MPBPVP)
WS: 84.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.47 (KowWin est)
Log Kaw used: -1.724 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.194
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8636
Biowin2 (Non-Linear Model) : 0.9766
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7387 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6425 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4626
Biowin6 (MITI Non-Linear Model): 0.5077
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2104
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): 20.4 Pa (0.153 mm Hg)
Log Koa (Koawin est ): 5.194
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.47E-007
Octanol/air (Koa) model: 3.84E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.31E-006
Mackay model : 1.18E-005
Octanol/air (Koa) model: 3.07E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 54.2623 E-12 cm3/molecule-sec
Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.365 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
8.54E-006 (Junge-Pankow, Mackay avg)
3.07E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 521 L/kg (MCI method)
Log Koc: 2.717 (MCI method)
Koc : 795 L/kg (Kow method)
Log Koc: 2.900 (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 = 1.955 (BCF = 90.06 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1000 days (HL = 1.259 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.291 (BCF = 195.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.291 (BAF = 195.4)
log Kow used: 3.47 (estimated)
Volatilization from Water:
Henry LC: 0.000462 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.785 hours
Half-Life from Model Lake : 132.5 hours (5.519 days)
Removal In Wastewater Treatment:
Total removal: 26.53 percent
Total biodegradation: 0.16 percent
Total sludge adsorption: 11.23 percent
Total to Air: 15.15 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.446 3.92 1000
Water 14.3 900 1000
Soil 84.8 1.8e+003 1000
Sediment 0.413 8.1e+003 0
Persistence Time: 708 hr