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CAS Number: 65018-15-7

SMILES : CC1=CCCC2(C1CC(CC2)C(=C)CO)C

CHEM :

MOL FOR: C15 H24 O1

MOL WT : 220.36

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

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) = 4.84

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

Boiling Pt (deg C): 312.01 (Adapted Stein & Brown method)

Melting Pt (deg C): 77.01 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00266 (Modified Grain method)

Subcooled liquid VP: 6.23E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.0083 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 8.206

log Kow used: 4.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 14.216 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 2.52E-005 atm-m3/mole (2.56E+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: 7.067E-007 atm-m3/mole (7.160E-002 Pa-m3/mole)

VP: 2E-005 mm Hg (source: MPBPVP)

WS: 8.21 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.84 (KowWin est)

Log Kaw used: -2.987 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.827

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6174

Biowin2 (Non-Linear Model) : 0.3261

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6601 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5058 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4777

Biowin6 (MITI Non-Linear Model): 0.2779

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2403

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): 0.00831 Pa (6.23E-005 mm Hg)

Log Koa (Koawin est ): 7.827

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

Mackay model : 0.000361

Octanol/air (Koa) model: 1.65E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0129

Mackay model : 0.0281

Octanol/air (Koa) model: 0.00132

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 154.6833 E-12 cm3/molecule-sec

Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.830 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 44.200001 E-17 cm3/molecule-sec

Half-Life = 0.026 Days (at 7E11 mol/cm3)

Half-Life = 37.336 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.0205 (Junge-Pankow, Mackay avg)

0.00132 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1682 L/kg (MCI method)

Log Koc: 3.226 (MCI method)

Koc : 1552 L/kg (Kow method)

Log Koc: 3.191 (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 v3.01):

Log BCF from regression-based method = 2.858 (BCF = 721.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.9896 days (HL = 9.762 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.385 (BCF = 2425)

Log BAF Arnot-Gobas method (upper trophic) = 3.482 (BAF = 3036)

log Kow used: 4.84 (estimated)

Volatilization from Water:

Henry LC: 2.52E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 36 hours (1.5 days)

Half-Life from Model Lake : 517.2 hours (21.55 days)

Removal In Wastewater Treatment:

Total removal: 72.15 percent

Total biodegradation: 0.64 percent

Total sludge adsorption: 71.19 percent

Total to Air: 0.33 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0237 0.453 1000

Water 16.4 900 1000

Soil 82.1 1.8e+003 1000

Sediment 1.54 8.1e+003 0

Persistence Time: 1.03e+003 hr

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