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CAS Num: 004125-43-3
SMILES : O(c(c(OC)ccc1)c1)CC=C
CHEM : Benzene, 1-methoxy-2-(2-propenyloxy)-
MOL FOR: C10 H12 O2
MOL WT : 164.21
------------------------------ 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) = 2.48
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 229.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 15.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0796 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 10.6 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 495.2
log Kow used: 2.48 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)
Exper. Ref: BEILSTEIN
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 54.377 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.48E-005 atm-m3/mole (2.51E+000 Pa-m3/mole)
Group Method: 4.88E-003 atm-m3/mole (4.95E+002 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 3.473E-005 atm-m3/mole (3.519E+000 Pa-m3/mole)
VP: 0.0796 mm Hg (source: MPBPVP)
WS: 495 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.48 (KowWin est)
Log Kaw used: -2.994 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.474
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9332
Biowin2 (Non-Linear Model) : 0.9944
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7201 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7651 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7154
Biowin6 (MITI Non-Linear Model): 0.8093
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5362
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): 10 Pa (0.075 mm Hg)
Log Koa (Koawin est ): 5.474
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3E-007
Octanol/air (Koa) model: 7.31E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.08E-005
Mackay model : 2.4E-005
Octanol/air (Koa) model: 5.85E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 51.4282 E-12 cm3/molecule-sec
Half-Life = 0.208 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.496 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):
1.74E-005 (Junge-Pankow, Mackay avg)
5.85E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 202.8 L/kg (MCI method)
Log Koc: 2.307 (MCI method)
Koc : 256.3 L/kg (Kow method)
Log Koc: 2.409 (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 = 1.306 (BCF = 20.22 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1299 days (HL = 0.7414 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.470 (BCF = 29.54)
Log BAF Arnot-Gobas method (upper trophic) = 1.470 (BAF = 29.54)
log Kow used: 2.48 (estimated)
Volatilization from Water:
Henry LC: 0.00488 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.461 hours
Half-Life from Model Lake : 123.4 hours (5.141 days)
Removal In Wastewater Treatment:
Total removal: 66.34 percent
Total biodegradation: 0.05 percent
Total sludge adsorption: 1.64 percent
Total to Air: 64.65 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.8 4.1 1000
Water 49.2 900 1000
Soil 47.4 1.8e+003 1000
Sediment 0.585 8.1e+003 0
Persistence Time: 165 hr