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: 94-82-6
SMILES : OC(=O)CCCOc1ccc(CL)cc1CL
CHEM : 2,4-Dichlorophenoxybutyric acid
MOL FOR: C10 H10 CL2 O3
MOL WT : 249.10
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 3.60
Log Kow (Exper. database match) = 3.53
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 353.19 (Adapted Stein & Brown method)
Melting Pt (deg C): 125.28 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.37E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00849 (Modified Grain method)
MP (exp database): 118 deg C
BP (exp database): 324.35 deg C
Subcooled liquid VP: 0.000531 mm Hg (25 deg C, Mod-Grain method)
: 0.0707 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 57.46
log Kow used: 3.53 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 46 mg/L (25 deg C)
Exper. Ref: TOMLIN,C (1994)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 64.597 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.29E-009 atm-m3/mole (2.32E-004 Pa-m3/mole)
Group Method: 5.87E-009 atm-m3/mole (5.95E-004 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: 3.634E-007 atm-m3/mole (3.682E-002 Pa-m3/mole)
VP: 6.37E-005 mm Hg (source: MPBPVP)
WS: 57.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.53 (exp database)
Log Kaw used: -7.029 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.559
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4687
Biowin2 (Non-Linear Model) : 0.1587
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5420 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6204 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5327
Biowin6 (MITI Non-Linear Model): 0.2694
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1880
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): 0.0708 Pa (0.000531 mm Hg)
Log Koa (Koawin est ): 10.559
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.24E-005
Octanol/air (Koa) model: 0.00889
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00153
Mackay model : 0.00338
Octanol/air (Koa) model: 0.416
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 14.2434 E-12 cm3/molecule-sec
Half-Life = 0.751 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.011 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00245 (Junge-Pankow, Mackay avg)
0.416 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 98.4 L/kg (MCI method)
Log Koc: 1.993 (MCI method)
Koc : 145.9 L/kg (Kow method)
Log Koc: 2.164 (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) = 1.2025 days (HL = 15.94 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.532 (BCF = 340.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.544 (BAF = 350.1)
log Kow used: 3.53 (expkow database)
Volatilization from Water:
Henry LC: 5.87E-009 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.574E+005 hours (6559 days)
Half-Life from Model Lake : 1.717E+006 hours (7.156E+004 days)
Removal In Wastewater Treatment:
Total removal: 13.73 percent
Total biodegradation: 0.19 percent
Total sludge adsorption: 13.54 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0468 18 1000
Water 17.8 900 1000
Soil 82.1 1.8e+003 1000
Sediment 0.118 8.1e+003 0
Persistence Time: 1.53e+003 hr