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CAS Num: 000536-59-4

SMILES : OCC(=CCC(C(=C)C)C1)C1

CHEM : 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-

MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ 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) = 3.36

Log Kow (Exper. database match) = 3.17

Exper. Ref: GRIFFIN,S ET AL. (1999)

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

Boiling Pt (deg C): 241.19 (Adapted Stein & Brown method)

Melting Pt (deg C): 11.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00478 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.638 (Mean VP of Antoine & Grain methods)

BP (exp database): 244 deg C

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

Water Solubility at 25 deg C (mg/L): 471

log Kow used: 3.17 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1205 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 1.39E-005 atm-m3/mole (1.41E+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: 2.033E-006 atm-m3/mole (2.060E-001 Pa-m3/mole)

VP: 0.00478 mm Hg (source: MPBPVP)

WS: 471 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.17 (exp database)

Log Kaw used: -3.245 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.415

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8338

Biowin2 (Non-Linear Model) : 0.8770

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0227 (weeks )

Biowin4 (Primary Survey Model) : 3.7575 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5604

Biowin6 (MITI Non-Linear Model): 0.5620

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3741

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): 0.611 Pa (0.00458 mm Hg)

Log Koa (Koawin est ): 6.415

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

Mackay model : 4.91E-006

Octanol/air (Koa) model: 6.38E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000177

Mackay model : 0.000393

Octanol/air (Koa) model: 5.11E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 148.4907 E-12 cm3/molecule-sec

Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.864 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):

0.000285 (Junge-Pankow, Mackay avg)

5.11E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 102.7 L/kg (MCI method)

Log Koc: 2.012 (MCI method)

Koc : 185 L/kg (Kow method)

Log Koc: 2.267 (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 = 1.759 (BCF = 57.35 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1475 days (HL = 0.712 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.010 (BCF = 102.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.010 (BAF = 102.3)

log Kow used: 3.17 (expkow database)

Volatilization from Water:

Henry LC: 1.39E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 53.23 hours (2.218 days)

Half-Life from Model Lake : 684.2 hours (28.51 days)

Removal In Wastewater Treatment:

Total removal: 8.12 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.26 percent

Total to Air: 0.72 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0558 0.458 1000

Water 27.8 360 1000

Soil 72 720 1000

Sediment 0.165 3.24e+003 0

Persistence Time: 424 hr

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