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 Num: 002186-92-7
SMILES : O(C(OC)c(ccc(OC)c1)c1)C
CHEM : Benzene, 1-(dimethoxymethyl)-4-methoxy-
MOL FOR: C10 H14 O3
MOL WT : 182.22
------------------------------ 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) = 1.52
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 238.99 (Adapted Stein & Brown method)
Melting Pt (deg C): 22.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0488 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 6.51 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2702
log Kow used: 1.52 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3941.9 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.42E-007 atm-m3/mole (2.45E-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: 4.330E-006 atm-m3/mole (4.388E-001 Pa-m3/mole)
VP: 0.0488 mm Hg (source: MPBPVP)
WS: 2.7E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.52 (KowWin est)
Log Kaw used: -5.005 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.525
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0980
Biowin2 (Non-Linear Model) : 0.0149
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7210 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6425 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3926
Biowin6 (MITI Non-Linear Model): 0.3047
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0878
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): 6.23 Pa (0.0467 mm Hg)
Log Koa (Koawin est ): 6.525
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.82E-007
Octanol/air (Koa) model: 8.22E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.74E-005
Mackay model : 3.85E-005
Octanol/air (Koa) model: 6.58E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 35.4666 E-12 cm3/molecule-sec
Half-Life = 0.302 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.619 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.8E-005 (Junge-Pankow, Mackay avg)
6.58E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 29.39 L/kg (MCI method)
Log Koc: 1.468 (MCI method)
Koc : 43.71 L/kg (Kow method)
Log Koc: 1.641 (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 = 0.670 (BCF = 4.678 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7428 days (HL = 0.1808 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.590 (BCF = 3.886)
Log BAF Arnot-Gobas method (upper trophic) = 0.590 (BAF = 3.886)
log Kow used: 1.52 (estimated)
Volatilization from Water:
Henry LC: 2.42E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3267 hours (136.1 days)
Half-Life from Model Lake : 3.576E+004 hours (1490 days)
Removal In Wastewater Treatment:
Total removal: 1.99 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.89 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.377 7.24 1000
Water 32.9 900 1000
Soil 66.6 1.8e+003 1000
Sediment 0.109 8.1e+003 0
Persistence Time: 808 hr