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CAS Number:

SMILES : CCCCCCC(=O)Oc1ccc(cc1)OC

CHEM : (4-methoxyphenyl) heptanoat

MOL FOR: C14 H20 O3

MOL WT : 236.31

------------------------------ 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) = 4.13

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

Boiling Pt (deg C): 314.98 (Adapted Stein & Brown method)

Melting Pt (deg C): 74.07 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000301 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0402 (Modified Grain method)

Subcooled liquid VP: 0.000878 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 8.421

log Kow used: 4.13 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.42 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 1.58E-005 atm-m3/mole (1.60E+000 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: 1.111E-005 atm-m3/mole (1.126E+000 Pa-m3/mole)

VP: 0.000301 mm Hg (source: MPBPVP)

WS: 8.42 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.13 (KowWin est)

Log Kaw used: -3.190 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.320

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0496

Biowin2 (Non-Linear Model) : 0.9996

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0574 (weeks )

Biowin4 (Primary Survey Model) : 4.0819 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8288

Biowin6 (MITI Non-Linear Model): 0.8947

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4573

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): 0.117 Pa (0.000878 mm Hg)

Log Koa (Koawin est ): 7.320

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

Mackay model : 2.56E-005

Octanol/air (Koa) model: 5.13E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000925

Mackay model : 0.00205

Octanol/air (Koa) model: 0.00041

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.5360 E-12 cm3/molecule-sec

Half-Life = 0.475 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.695 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00149 (Junge-Pankow, Mackay avg)

0.00041 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 848 L/kg (MCI method)

Log Koc: 2.928 (MCI method)

Koc : 1584 L/kg (Kow method)

Log Koc: 3.200 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 6.969E-001 L/mol-sec

Kb Half-Life at pH 8: 11.510 days

Kb Half-Life at pH 7: 115.102 days

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.389 (BCF = 245.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4218 days (HL = 0.3786 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.160 (BCF = 144.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.160 (BAF = 144.5)

log Kow used: 4.13 (estimated)

Volatilization from Water:

Henry LC: 1.58E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 58.53 hours (2.439 days)

Half-Life from Model Lake : 767.4 hours (31.98 days)

Removal In Wastewater Treatment:

Total removal: 36.77 percent

Total biodegradation: 0.37 percent

Total sludge adsorption: 35.85 percent

Total to Air: 0.55 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.07 11.4 1000

Water 24 360 1000

Soil 74.2 720 1000

Sediment 0.735 3.24e+003 0

Persistence Time: 460 hr

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