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CAS Number: 822-66-2

SMILES : OC(CC=C1)CC1

CHEM : 3-CYCLOHEXEN-1-OL

MOL FOR: C6 H10 O1

MOL WT : 98.15

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 1.42

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

Boiling Pt (deg C): 164.56 (Adapted Stein & Brown method)

Melting Pt (deg C): -32.20 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.612 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 81.5 (Mean VP of Antoine & Grain methods)

BP (exp database): 164 deg C

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

Water Solubility at 25 deg C (mg/L): 2.337e+004

log Kow used: 1.42 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 39093 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.31E-006 atm-m3/mole (4.36E-001 Pa-m3/mole)

Group Method: 9.74E-007 atm-m3/mole (9.87E-002 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: 3.382E-006 atm-m3/mole (3.427E-001 Pa-m3/mole)

VP: 0.612 mm Hg (source: MPBPVP)

WS: 2.34E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.42 (KowWin est)

Log Kaw used: -3.754 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.174

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8596

Biowin2 (Non-Linear Model) : 0.9389

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1423 (weeks )

Biowin4 (Primary Survey Model) : 3.8356 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6653

Biowin6 (MITI Non-Linear Model): 0.7914

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5012

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): 72.7 Pa (0.545 mm Hg)

Log Koa (Koawin est ): 5.174

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

Mackay model : 4.13E-008

Octanol/air (Koa) model: 3.66E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.49E-006

Mackay model : 3.3E-006

Octanol/air (Koa) model: 2.93E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 70.5233 E-12 cm3/molecule-sec

Half-Life = 0.152 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.820 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec

Half-Life = 0.057 Days (at 7E11 mol/cm3)

Half-Life = 1.375 Hrs

Fraction sorbed to airborne particulates (phi):

2.4E-006 (Junge-Pankow, Mackay avg)

2.93E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 11.25 L/kg (MCI method)

Log Koc: 1.051 (MCI method)

Koc : 19.91 L/kg (Kow method)

Log Koc: 1.299 (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 = 0.605 (BCF = 4.031 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9141 days (HL = 0.1219 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.497 (BCF = 3.139)

Log BAF Arnot-Gobas method (upper trophic) = 0.497 (BAF = 3.139)

log Kow used: 1.42 (estimated)

Volatilization from Water:

Henry LC: 9.74E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 596.5 hours (24.86 days)

Half-Life from Model Lake : 6591 hours (274.6 days)

Removal In Wastewater Treatment:

Total removal: 2.01 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.86 percent

Total to Air: 0.06 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.135 0.998 1000

Water 39.5 360 1000

Soil 60.2 720 1000

Sediment 0.0911 3.24e+003 0

Persistence Time: 372 hr

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