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CAS Num: 004442-79-9

SMILES : OCCC(CCCC1)C1

CHEM : Cyclohexaneethanol

MOL FOR: C8 H16 O1

MOL WT : 128.22

------------------------------ 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) = 2.62

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

Boiling Pt (deg C): 209.42 (Adapted Stein & Brown method)

Melting Pt (deg C): -8.21 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0454 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 6.05 (Mean VP of Antoine & Grain methods)

MP (exp database): -20 deg C

BP (exp database): 208 deg C

VP (exp database): 1.66E-01 mm Hg (2.21E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1752

log Kow used: 2.62 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5031.1 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 8.63E-006 atm-m3/mole (8.74E-001 Pa-m3/mole)

Group Method: 5.35E-006 atm-m3/mole (5.42E-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: 4.372E-006 atm-m3/mole (4.430E-001 Pa-m3/mole)

VP: 0.0454 mm Hg (source: MPBPVP)

WS: 1.75E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.62 (KowWin est)

Log Kaw used: -3.452 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.072

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8452

Biowin2 (Non-Linear Model) : 0.9094

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0758 (weeks )

Biowin4 (Primary Survey Model) : 3.7922 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7017

Biowin6 (MITI Non-Linear Model): 0.8508

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4602

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): 22.1 Pa (0.166 mm Hg)

Log Koa (Koawin est ): 6.072

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

Mackay model : 1.36E-007

Octanol/air (Koa) model: 2.9E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.9E-006

Mackay model : 1.08E-005

Octanol/air (Koa) model: 2.32E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.2492 E-12 cm3/molecule-sec

Half-Life = 0.658 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.899 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

7.87E-006 (Junge-Pankow, Mackay avg)

2.32E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 39.1 L/kg (MCI method)

Log Koc: 1.592 (MCI method)

Koc : 91.8 L/kg (Kow method)

Log Koc: 1.963 (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 = 1.395 (BCF = 24.85 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5801 days (HL = 0.263 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.488 (BCF = 30.74)

Log BAF Arnot-Gobas method (upper trophic) = 1.488 (BAF = 30.74)

log Kow used: 2.62 (estimated)

Volatilization from Water:

Henry LC: 5.35E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 125.1 hours (5.211 days)

Half-Life from Model Lake : 1459 hours (60.81 days)

Removal In Wastewater Treatment:

Total removal: 3.78 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.37 percent

Total to Air: 0.30 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.57 15.8 1000

Water 31.8 360 1000

Soil 66.5 720 1000

Sediment 0.11 3.24e+003 0

Persistence Time: 414 hr

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