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: 001706-12-3
SMILES : O(c(ccc(c1)C)c1)c(cccc2)c2
CHEM : Benzene, 1-methyl-4-phenoxy-
MOL FOR: C13 H12 O1
MOL WT : 184.24
------------------------------ 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) = 4.60
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 285.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 51.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00236 (Modified Grain method)
VP (Pa, 25 deg C) : 0.314 (Modified Grain method)
Subcooled liquid VP: 0.00417 mm Hg (25 deg C, Mod-Grain method)
: 0.555 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6.232
log Kow used: 4.60 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.3919 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.30E-004 atm-m3/mole (1.32E+001 Pa-m3/mole)
Group Method: 3.01E-004 atm-m3/mole (3.05E+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: 9.180E-005 atm-m3/mole (9.302E+000 Pa-m3/mole)
VP: 0.00236 mm Hg (source: MPBPVP)
WS: 6.23 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.60 (KowWin est)
Log Kaw used: -2.275 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.875
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9745
Biowin2 (Non-Linear Model) : 0.9934
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6811 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5954 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4747
Biowin6 (MITI Non-Linear Model): 0.4795
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0016
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): 0.556 Pa (0.00417 mm Hg)
Log Koa (Koawin est ): 6.875
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.4E-006
Octanol/air (Koa) model: 1.84E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000195
Mackay model : 0.000431
Octanol/air (Koa) model: 0.000147
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.0881 E-12 cm3/molecule-sec
Half-Life = 0.965 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.576 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000313 (Junge-Pankow, Mackay avg)
0.000147 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3077 L/kg (MCI method)
Log Koc: 3.488 (MCI method)
Koc : 3353 L/kg (Kow method)
Log Koc: 3.525 (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 = 2.700 (BCF = 501 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3635 days (HL = 2.309 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.889 (BCF = 774.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.894 (BAF = 782.8)
log Kow used: 4.60 (estimated)
Volatilization from Water:
Henry LC: 0.000301 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 4.025 hours
Half-Life from Model Lake : 157.7 hours (6.572 days)
Removal In Wastewater Treatment:
Total removal: 63.92 percent
Total biodegradation: 0.53 percent
Total sludge adsorption: 58.83 percent
Total to Air: 4.56 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.28 23.2 1000
Water 11.2 900 1000
Soil 85.6 1.8e+003 1000
Sediment 1.96 8.1e+003 0
Persistence Time: 961 hr