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: 000093-51-6
SMILES : O(c(c(O)ccc1C)c1)C
CHEM : Phenol, 2-methoxy-4-methyl-
MOL FOR: C8 H10 O2
MOL WT : 138.17
------------------------------ 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) = 1.88
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 230.36 (Adapted Stein & Brown method)
Melting Pt (deg C): 40.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0594 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 7.92 (Mean VP of Antoine & Grain methods)
MP (exp database): 5.5 deg C
BP (exp database): 221 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2093
log Kow used: 1.88 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 9449.2 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Phenols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.66E-008 atm-m3/mole (3.71E-003 Pa-m3/mole)
Group Method: 5.73E-007 atm-m3/mole (5.81E-002 Pa-m3/mole)
Exper Database: 1.33E-06 atm-m3/mole (1.35E-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: 5.160E-006 atm-m3/mole (5.228E-001 Pa-m3/mole)
VP: 0.0594 mm Hg (source: MPBPVP)
WS: 2.09E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.88 (KowWin est)
Log Kaw used: -4.265 (exp database)
Log Koa (KOAWIN v1.10 estimate): 6.145
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9842
Biowin2 (Non-Linear Model) : 0.9917
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8172 (weeks )
Biowin4 (Primary Survey Model) : 3.6967 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6271
Biowin6 (MITI Non-Linear Model): 0.7379
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3572
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): 7.33 Pa (0.055 mm Hg)
Log Koa (Koawin est ): 6.145
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.09E-007
Octanol/air (Koa) model: 3.43E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.48E-005
Mackay model : 3.27E-005
Octanol/air (Koa) model: 2.74E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 39.7530 E-12 cm3/molecule-sec
Half-Life = 0.269 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.229 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
2.38E-005 (Junge-Pankow, Mackay avg)
2.74E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 196.4 L/kg (MCI method)
Log Koc: 2.293 (MCI method)
Koc : 154.1 L/kg (Kow method)
Log Koc: 2.188 (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 = 0.911 (BCF = 8.142 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1468 days (HL = 0.07133 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.775 (BCF = 5.961)
Log BAF Arnot-Gobas method (upper trophic) = 0.775 (BAF = 5.961)
log Kow used: 1.88 (estimated)
Volatilization from Water:
Henry LC: 1.33E-006 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 518.7 hours (21.61 days)
Half-Life from Model Lake : 5757 hours (239.9 days)
Removal In Wastewater Treatment:
Total removal: 2.22 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.05 percent
Total to Air: 0.08 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.622 6.46 1000
Water 26.3 360 1000
Soil 72.8 720 1000
Sediment 0.248 3.24e+003 0
Persistence Time: 454 hr