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CAS Num: 020920-83-6

SMILES : O(Cc(c(O)ccc1)c1)CC

CHEM : Phenol, 2-(ethoxymethyl)-

MOL FOR: C9 H12 O2

MOL WT : 152.19

------------------------------ 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) = 1.79

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

Boiling Pt (deg C): 248.39 (Adapted Stein & Brown method)

Melting Pt (deg C): 47.05 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00765 (Modified Grain method)

VP (Pa, 25 deg C) : 1.02 (Modified Grain method)

Subcooled liquid VP: 0.0122 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 8422

log Kow used: 1.79 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 35103 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 9.61E-009 atm-m3/mole (9.74E-004 Pa-m3/mole)

Group Method: 1.07E-009 atm-m3/mole (1.08E-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: 1.819E-007 atm-m3/mole (1.843E-002 Pa-m3/mole)

VP: 0.00765 mm Hg (source: MPBPVP)

WS: 8.42E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.79 (KowWin est)

Log Kaw used: -6.406 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.196

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4435

Biowin2 (Non-Linear Model) : 0.1580

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9106 (weeks )

Biowin4 (Primary Survey Model) : 3.6581 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3521

Biowin6 (MITI Non-Linear Model): 0.3358

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2169

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): 1.63 Pa (0.0122 mm Hg)

Log Koa (Koawin est ): 8.196

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

Mackay model : 1.84E-006

Octanol/air (Koa) model: 3.85E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.66E-005

Mackay model : 0.000148

Octanol/air (Koa) model: 0.00307

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 52.6140 E-12 cm3/molecule-sec

Half-Life = 0.203 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.440 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000107 (Junge-Pankow, Mackay avg)

0.00307 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 261 L/kg (MCI method)

Log Koc: 2.417 (MCI method)

Koc : 98.05 L/kg (Kow method)

Log Koc: 1.991 (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 = 0.845 (BCF = 7.002 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3039 days (HL = 0.04967 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.653 (BCF = 4.5)

Log BAF Arnot-Gobas method (upper trophic) = 0.653 (BAF = 4.5)

log Kow used: 1.79 (estimated)

Volatilization from Water:

Henry LC: 1.07E-009 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 6.75E+005 hours (2.813E+004 days)

Half-Life from Model Lake : 7.364E+006 hours (3.068E+005 days)

Removal In Wastewater Treatment:

Total removal: 2.09 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.00 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 0.0183 4.88 1000

Water 17.7 360 1000

Soil 82.1 720 1000

Sediment 0.207 3.24e+003 0

Persistence Time: 748 hr

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