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CAS Num: 000091-16-7
SMILES : O(c(c(OC)ccc1)c1)C
CHEM : Benzene, 1,2-dimethoxy-
MOL FOR: C8 H10 O2
MOL WT : 138.17
------------------------------ 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) = 1.64
Log Kow (Exper. database match) = 1.60
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 192.33 (Adapted Stein & Brown method)
Melting Pt (deg C): -5.60 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.267 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 35.6 (Mean VP of Antoine & Grain methods)
MP (exp database): 22.5 deg C
BP (exp database): 206 deg C
VP (exp database): 4.70E-01 mm Hg (6.27E+001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3666
log Kow used: 1.60 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 524.4 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.89E-005 atm-m3/mole (1.91E+000 Pa-m3/mole)
Group Method: 3.54E-003 atm-m3/mole (3.58E+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: 1.324E-005 atm-m3/mole (1.342E+000 Pa-m3/mole)
VP: 0.267 mm Hg (source: MPBPVP)
WS: 3.67E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.60 (exp database)
Log Kaw used: -3.112 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.712
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9456
Biowin2 (Non-Linear Model) : 0.9961
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7776 (weeks )
Biowin4 (Primary Survey Model) : 3.8026 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7252
Biowin6 (MITI Non-Linear Model): 0.8458
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6513
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): 62.7 Pa (0.47 mm Hg)
Log Koa (Koawin est ): 4.712
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.79E-008
Octanol/air (Koa) model: 1.26E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.73E-006
Mackay model : 3.83E-006
Octanol/air (Koa) model: 1.01E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 20.2604 E-12 cm3/molecule-sec
Half-Life = 0.528 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.335 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.78E-006 (Junge-Pankow, Mackay avg)
1.01E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 61.07 L/kg (MCI method)
Log Koc: 1.786 (MCI method)
Koc : 83.55 L/kg (Kow method)
Log Koc: 1.922 (Kow method)
Experimental Log Koc: 2.03 (database)
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 = 0.723 (BCF = 5.281 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4104 days (HL = 0.3887 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.681 (BCF = 4.8)
Log BAF Arnot-Gobas method (upper trophic) = 0.681 (BAF = 4.8)
log Kow used: 1.60 (expkow database)
Volatilization from Water:
Henry LC: 0.00354 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.394 hours
Half-Life from Model Lake : 113.8 hours (4.74 days)
Removal In Wastewater Treatment:
Total removal: 58.92 percent
Total biodegradation: 0.05 percent
Total sludge adsorption: 1.00 percent
Total to Air: 57.88 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 6.86 7.33 1000
Water 59.3 360 1000
Soil 33.5 720 1000
Sediment 0.257 3.24e+003 0
Persistence Time: 108 hr