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: 13794-15-5
SMILES : CC(C(=O)O)Oc1ccc(cc1)OC
CHEM : 2-(4-methoxyphenoxy)propanoic acid
MOL FOR: C10 H12 O4
MOL WT : 196.20
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 1.83
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 318.85 (Adapted Stein & Brown method)
Melting Pt (deg C): 93.96 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000154 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0205 (Modified Grain method)
Subcooled liquid VP: 0.000713 mm Hg (25 deg C, Mod-Grain method)
: 0.0951 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3129
log Kow used: 1.83 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3343.7 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics-acid
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.32E-009 atm-m3/mole (1.34E-004 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: 1.271E-008 atm-m3/mole (1.287E-003 Pa-m3/mole)
VP: 0.000154 mm Hg (source: MPBPVP)
WS: 3.13E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.83 (KowWin est)
Log Kaw used: -7.268 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.098
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9906
Biowin2 (Non-Linear Model) : 0.9953
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0139 (weeks )
Biowin4 (Primary Survey Model) : 4.1045 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6831
Biowin6 (MITI Non-Linear Model): 0.7429
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6722
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): 0.0951 Pa (0.000713 mm Hg)
Log Koa (Koawin est ): 9.098
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.16E-005
Octanol/air (Koa) model: 0.000308
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00114
Mackay model : 0.00252
Octanol/air (Koa) model: 0.024
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 28.9935 E-12 cm3/molecule-sec
Half-Life = 0.369 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.427 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00183 (Junge-Pankow, Mackay avg)
0.024 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 11.83 L/kg (MCI method)
Log Koc: 1.073 (MCI method)
Koc : 19.05 L/kg (Kow method)
Log Koc: 1.280 (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) = -0.3005 days (HL = 0.5006 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.876 (BCF = 7.516)
Log BAF Arnot-Gobas method (upper trophic) = 0.876 (BAF = 7.516)
log Kow used: 1.83 (estimated)
Volatilization from Water:
Henry LC: 1.32E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.213E+005 hours (2.589E+004 days)
Half-Life from Model Lake : 6.778E+006 hours (2.824E+005 days)
Removal In Wastewater Treatment:
Total removal: 2.12 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.02 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 0.0271 8.85 1000
Water 29.9 360 1000
Soil 70 720 1000
Sediment 0.0696 3.24e+003 0
Persistence Time: 636 hr