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 Number: 97-97-2
SMILES : O(C(OC)CCL)C
CHEM : Ethane, 2-chloro-1,1-dimethoxy-
MOL FOR: C4 H9 CL1 O2
MOL WT : 124.57
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 0.48
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 123.43 (Adapted Stein & Brown method)
Melting Pt (deg C): -60.27 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 11.2 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.49E+003 (Mean VP of Antoine & Grain methods)
BP (exp database): 127.5 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3.78e+004
log Kow used: 0.48 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.4222e+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 : 2.37E-005 atm-m3/mole (2.40E+000 Pa-m3/mole)
Group Method: 1.17E-006 atm-m3/mole (1.19E-001 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: 4.857E-005 atm-m3/mole (4.921E+000 Pa-m3/mole)
VP: 11.2 mm Hg (source: MPBPVP)
WS: 3.78E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.48 (KowWin est)
Log Kaw used: -3.014 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.494
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.1179
Biowin2 (Non-Linear Model) : 0.0006
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7334 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5479 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3451
Biowin6 (MITI Non-Linear Model): 0.1743
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0079
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): 1.39E+003 Pa (10.4 mm Hg)
Log Koa (Koawin est ): 3.494
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.16E-009
Octanol/air (Koa) model: 7.66E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.81E-008
Mackay model : 1.73E-007
Octanol/air (Koa) model: 6.12E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 3.2647 E-12 cm3/molecule-sec
Half-Life = 3.276 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 39.315 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.26E-007 (Junge-Pankow, Mackay avg)
6.12E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.989 L/kg (MCI method)
Log Koc: 0.601 (MCI method)
Koc : 10.22 L/kg (Kow method)
Log Koc: 1.009 (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 v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0725 days (HL = 0.08462 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.056 (BCF = 1.139)
Log BAF Arnot-Gobas method (upper trophic) = 0.056 (BAF = 1.139)
log Kow used: 0.48 (estimated)
Volatilization from Water:
Henry LC: 2.37E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 28.71 hours (1.196 days)
Half-Life from Model Lake : 406.8 hours (16.95 days)
Removal In Wastewater Treatment:
Total removal: 3.13 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 1.29 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.76 78.6 1000
Water 48.3 900 1000
Soil 46.9 1.8e+003 1000
Sediment 0.102 8.1e+003 0
Persistence Time: 518 hr