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CAS Number: 64190-82-5

SMILES : O=C(OCCCCCCCCCCCCCCCCCCCC)C=Cc1cc(OC)c(O)cc1

CHEM :

MOL FOR: C30 H50 O4

MOL WT : 474.73

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 11.03

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

Boiling Pt (deg C): 541.62 (Adapted Stein & Brown method)

Melting Pt (deg C): 232.04 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.49E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 1.99E-010 (Modified Grain method)

Subcooled liquid VP: 2.52E-010 mm Hg (25 deg C, Mod-Grain method)

: 3.36E-008 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 3.932e-007

log Kow used: 11.03 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.4276e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Acrylates

Phenols

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

Bond Method : 5.55E-009 atm-m3/mole (5.62E-004 Pa-m3/mole)

Group Method: 5.48E-008 atm-m3/mole (5.55E-003 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: 2.367E-006 atm-m3/mole (2.398E-001 Pa-m3/mole)

VP: 1.49E-012 mm Hg (source: MPBPVP)

WS: 3.93E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 11.03 (KowWin est)

Log Kaw used: -6.644 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 17.674

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0519

Biowin2 (Non-Linear Model) : 0.9953

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5869 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7777 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8798

Biowin6 (MITI Non-Linear Model): 0.8448

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8503

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): 3.36E-008 Pa (2.52E-010 mm Hg)

Log Koa (Koawin est ): 17.674

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

Mackay model : 89.3

Octanol/air (Koa) model: 1.16E+005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 74.9888 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 77.6488 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.712 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.653 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.645E+007 L/kg (MCI method)

Log Koc: 7.216 (MCI method)

Koc : 1.525E+007 L/kg (Kow method)

Log Koc: 7.183 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.283E-003 L/mol-sec

Kb Half-Life at pH 8: 5.129 years

Kb Half-Life at pH 7: 51.285 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.552 (BCF = 35.61 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8867 days (HL = 7.703 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.014 (BCF = 1.033)

Log BAF Arnot-Gobas method (upper trophic) = 1.169 (BAF = 14.76)

log Kow used: 11.03 (estimated)

Volatilization from Water:

Henry LC: 5.48E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.328E+004 hours (970 days)

Half-Life from Model Lake : 2.542E+005 hours (1.059E+004 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.105 3.03 1000

Water 16 900 1000

Soil 81 1.8e+003 1000

Sediment 2.92 8.1e+003 0

Persistence Time: 1.18e+003 hr

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