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CAS Num: 018479-68-0

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

CHEM : 3-Cyclohexene-1-ethanol, ,4-dimethyl-

MOL FOR: C10 H18 O1

MOL WT : 154.25

------------------------------ 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) = 3.37

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

Boiling Pt (deg C): 236.58 (Adapted Stein & Brown method)

Melting Pt (deg C): 10.13 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00767 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.02 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 311.7

log Kow used: 3.37 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1203.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.58E-005 atm-m3/mole (1.60E+000 Pa-m3/mole)

Group Method: 3.54E-006 atm-m3/mole (3.58E-001 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: 4.994E-006 atm-m3/mole (5.060E-001 Pa-m3/mole)

VP: 0.00767 mm Hg (source: MPBPVP)

WS: 312 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.37 (KowWin est)

Log Kaw used: -3.190 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.560

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8328

Biowin2 (Non-Linear Model) : 0.8739

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0183 (weeks )

Biowin4 (Primary Survey Model) : 3.7546 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4918

Biowin6 (MITI Non-Linear Model): 0.5135

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2757

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): 0.965 Pa (0.00724 mm Hg)

Log Koa (Koawin est ): 6.560

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

Mackay model : 3.11E-006

Octanol/air (Koa) model: 8.91E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000112

Mackay model : 0.000249

Octanol/air (Koa) model: 7.13E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 101.6199 E-12 cm3/molecule-sec

Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.263 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00018 (Junge-Pankow, Mackay avg)

7.13E-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 : 238.6 L/kg (Kow method)

Log Koc: 2.378 (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 = 1.890 (BCF = 77.65 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2353 days (HL = 0.5818 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.089 (BCF = 122.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.089 (BAF = 122.6)

log Kow used: 3.37 (estimated)

Volatilization from Water:

Henry LC: 3.54E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 206.7 hours (8.612 days)

Half-Life from Model Lake : 2359 hours (98.28 days)

Removal In Wastewater Treatment:

Total removal: 10.57 percent

Total biodegradation: 0.16 percent

Total sludge adsorption: 10.22 percent

Total to Air: 0.18 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0582 0.51 1000

Water 28.2 360 1000

Soil 71.6 720 1000

Sediment 0.168 3.24e+003 0

Persistence Time: 433 hr

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