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CAS Number: 10486-25-6

SMILES : O=COC(C=C(C(C(C1C)CC2=C(C)C)C2)C)C1

CHEM : 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethyl

idene)-, formate

MOL FOR: C16 H24 O2

MOL WT : 248.37

------------------------------ EPI SUMMARY (v4.11) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 5.24

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

Boiling Pt (deg C): 312.70 (Adapted Stein & Brown method)

Melting Pt (deg C): 73.77 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000343 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0457 (Modified Grain method)

Subcooled liquid VP: 0.000992 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.8142

log Kow used: 5.24 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.3441 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

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

Bond Method : 3.14E-003 atm-m3/mole (3.18E+002 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: 1.377E-004 atm-m3/mole (1.395E+001 Pa-m3/mole)

VP: 0.000343 mm Hg (source: MPBPVP)

WS: 0.814 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.24 (KowWin est)

Log Kaw used: -0.892 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.132

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8035

Biowin2 (Non-Linear Model) : 0.9724

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7905 (weeks )

Biowin4 (Primary Survey Model) : 3.7184 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4338

Biowin6 (MITI Non-Linear Model): 0.1301

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4139

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): 0.132 Pa (0.000992 mm Hg)

Log Koa (Koawin est ): 6.132

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

Mackay model : 2.27E-005

Octanol/air (Koa) model: 3.33E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000819

Mackay model : 0.00181

Octanol/air (Koa) model: 2.66E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 211.3006 E-12 cm3/molecule-sec

Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.607 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 163.000000 E-17 cm3/molecule-sec

Half-Life = 0.007 Days (at 7E11 mol/cm3)

Half-Life = 10.124 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00131 (Junge-Pankow, Mackay avg)

2.66E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5578 L/kg (MCI method)

Log Koc: 3.746 (MCI method)

Koc : 5727 L/kg (Kow method)

Log Koc: 3.758 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.765E+000 L/mol-sec

Kb Half-Life at pH 8: 2.131 days

Kb Half-Life at pH 7: 21.305 days

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.122 (BCF = 1325 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7411 days (HL = 5.509 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.278 (BCF = 1895)

Log BAF Arnot-Gobas method (upper trophic) = 3.369 (BAF = 2338)

log Kow used: 5.24 (estimated)

Volatilization from Water:

Henry LC: 0.00314 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.902 hours

Half-Life from Model Lake : 152.9 hours (6.371 days)

Removal In Wastewater Treatment:

Total removal: 87.38 percent

Total biodegradation: 0.60 percent

Total sludge adsorption: 76.63 percent

Total to Air: 10.15 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0279 0.148 1000

Water 16.4 360 1000

Soil 80.8 720 1000

Sediment 2.77 3.24e+003 0

Persistence Time: 389 hr

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