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CAS Num: 000107-30-2
SMILES : O(CCL)C
CHEM : Methane, chloromethoxy-
MOL FOR: C2 H5 CL1 O1
MOL WT : 80.51
------------------------------ 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) = 0.32
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 64.41 (Adapted Stein & Brown method)
Melting Pt (deg C): -92.38 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 201 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.68E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -103.5 deg C
BP (exp database): 59.5 deg C
VP (exp database): 3.00E+01 mm Hg (4.00E+003 Pa) at 22 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6.944e+004
log Kow used: 0.32 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.924e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Halo Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.04E-004 atm-m3/mole (3.08E+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: 3.066E-004 atm-m3/mole (3.107E+001 Pa-m3/mole)
VP: 201 mm Hg (source: MPBPVP)
WS: 6.94E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.32 (KowWin est)
Log Kaw used: -1.906 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.226
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2505
Biowin2 (Non-Linear Model) : 0.0318
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8394 (weeks )
Biowin4 (Primary Survey Model) : 3.6212 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5250
Biowin6 (MITI Non-Linear Model): 0.4760
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5106
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): 4E+003 Pa (30 mm Hg)
Log Koa (Koawin est ): 2.226
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.5E-010
Octanol/air (Koa) model: 4.13E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.71E-008
Mackay model : 6E-008
Octanol/air (Koa) model: 3.3E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.3010 E-12 cm3/molecule-sec
Half-Life = 4.648 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 55.781 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.35E-008 (Junge-Pankow, Mackay avg)
3.3E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.322 L/kg (MCI method)
Log Koc: 0.726 (MCI method)
Koc : 10.27 L/kg (Kow method)
Log Koc: 1.012 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0381 days (HL = 0.09161 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.029 (BCF = 1.068)
Log BAF Arnot-Gobas method (upper trophic) = 0.029 (BAF = 1.068)
log Kow used: 0.32 (estimated)
Volatilization from Water:
Henry LC: 0.000304 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.644 hours
Half-Life from Model Lake : 104.1 hours (4.337 days)
Removal In Wastewater Treatment:
Total removal: 14.01 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 1.57 percent
Total to Air: 12.35 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 20.1 112 1000
Water 43.7 360 1000
Soil 36 720 1000
Sediment 0.0898 3.24e+003 0
Persistence Time: 204 hr