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CAS Num: 082654-98-6


CHEM : Phenol, 4-(butoxymethyl)-2-methoxy-

MOL FOR: C12 H18 O3

MOL WT : 210.28

------------------------------ 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) = 2.59

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 312.01 (Adapted Stein & Brown method)

Melting Pt (deg C): 94.67 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.92E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00922 (Modified Grain method)

Subcooled liquid VP: 0.000327 mm Hg (25 deg C, Mod-Grain method)

: 0.0436 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 236.4

log Kow used: 2.59 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1924.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.00E-009 atm-m3/mole (1.02E-004 Pa-m3/mole)

Group Method: 1.73E-009 atm-m3/mole (1.75E-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: 8.099E-008 atm-m3/mole (8.207E-003 Pa-m3/mole)

VP: 6.92E-005 mm Hg (source: MPBPVP)

WS: 236 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 2.59 (KowWin est)

Log Kaw used: -7.388 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.978

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6562

Biowin2 (Non-Linear Model) : 0.8312

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0224 (weeks )

Biowin4 (Primary Survey Model) : 3.9205 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4655

Biowin6 (MITI Non-Linear Model): 0.4310

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1450

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): 0.0436 Pa (0.000327 mm Hg)

Log Koa (Koawin est ): 9.978

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 6.88E-005

Octanol/air (Koa) model: 0.00233

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00248

Mackay model : 0.00547

Octanol/air (Koa) model: 0.157

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 55.7976 E-12 cm3/molecule-sec

Half-Life = 0.192 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.300 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00398 (Junge-Pankow, Mackay avg)

0.157 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 555.4 L/kg (MCI method)

Log Koc: 2.745 (MCI method)

Koc : 308.9 L/kg (Kow method)

Log Koc: 2.490 (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 = 1.378 (BCF = 23.86 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2130 days (HL = 0.06124 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.171 (BCF = 14.82)

Log BAF Arnot-Gobas method (upper trophic) = 1.171 (BAF = 14.82)

log Kow used: 2.59 (estimated)

Volatilization from Water:

Henry LC: 1.73E-009 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 4.908E+005 hours (2.045E+004 days)

Half-Life from Model Lake : 5.354E+006 hours (2.231E+005 days)

Removal In Wastewater Treatment:

Total removal: 3.38 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 3.27 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 0.0284 4.6 1000

Water 17.2 360 1000

Soil 82.4 720 1000

Sediment 0.368 3.24e+003 0

Persistence Time: 745 hr

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