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CAS Num: 008024-40-6

SMILES : c3(O)cc(O)c2c(c3)OC(c1ccccc1)=C(O)C2(=O)

CHEM : Oils, galangal

MOL FOR: C15 H10 O5

MOL WT : 270.24

------------------------------ 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) = 2.44

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

Boiling Pt (deg C): 480.51 (Adapted Stein & Brown method)

Melting Pt (deg C): 203.50 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.02E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 9.37E-010 (Modified Grain method)

MP (exp database): 214.5 deg C

Subcooled liquid VP: 7.32E-010 mm Hg (25 deg C, Mod-Grain method)

: 9.75E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 571.9

log Kow used: 2.44 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 659.18 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ketones

Vinyl/Allyl Ethers

Vinyl/Allyl Alcohols

Phenols, Poly

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

Bond Method : 6.09E-013 atm-m3/mole (6.17E-008 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: 4.365E-015 atm-m3/mole (4.423E-010 Pa-m3/mole)

VP: 7.02E-012 mm Hg (source: MPBPVP)

WS: 572 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.44 (KowWin est)

Log Kaw used: -10.604 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.044

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.2761

Biowin2 (Non-Linear Model) : 0.9967

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8161 (weeks )

Biowin4 (Primary Survey Model) : 3.7265 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5683

Biowin6 (MITI Non-Linear Model): 0.4261

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4666

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): 9.76E-008 Pa (7.32E-010 mm Hg)

Log Koa (Koawin est ): 13.044

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

Mackay model : 30.7

Octanol/air (Koa) model: 2.72

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: 0.995

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 238.9200 E-12 cm3/molecule-sec

Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.537 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 10.500000 E-17 cm3/molecule-sec

Half-Life = 0.109 Days (at 7E11 mol/cm3)

Half-Life = 2.619 Hrs

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.999 (Junge-Pankow, Mackay avg)

0.995 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 187.2 L/kg (MCI method)

Log Koc: 2.272 (MCI method)

Koc : 280.9 L/kg (Kow method)

Log Koc: 2.449 (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 = 0.691 (BCF = 4.912 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.8334 days (HL = 0.01468 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.688 (BCF = 4.875)

Log BAF Arnot-Gobas method (upper trophic) = 0.688 (BAF = 4.875)

log Kow used: 2.44 (estimated)

Volatilization from Water:

Henry LC: 6.09E-013 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.58E+009 hours (6.585E+007 days)

Half-Life from Model Lake : 1.724E+010 hours (7.184E+008 days)

Removal In Wastewater Treatment:

Total removal: 2.94 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.84 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 0.762 1000

Water 19.9 360 1000

Soil 79.9 720 1000

Sediment 0.18 3.24e+003 0

Persistence Time: 658 hr

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