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CAS Num: 070788-30-6


CHEM : Cyclohexanepropanol, 2,2,6-trimethyl-a-propyl-

MOL FOR: C15 H30 O1

MOL WT : 226.41

------------------------------ 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) = 5.80

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

Boiling Pt (deg C): 295.02 (Adapted Stein & Brown method)

Melting Pt (deg C): 56.43 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.5E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0127 (Modified Grain method)

Subcooled liquid VP: 0.000186 mm Hg (25 deg C, Mod-Grain method)

: 0.0247 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.149

log Kow used: 5.80 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.1377 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.27E-005 atm-m3/mole (6.35E+000 Pa-m3/mole)

Group Method: 1.44E-004 atm-m3/mole (1.46E+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: 2.463E-005 atm-m3/mole (2.496E+000 Pa-m3/mole)

VP: 9.5E-005 mm Hg (source: MPBPVP)

WS: 1.15 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.80 (KowWin est)

Log Kaw used: -2.591 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.391

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6146

Biowin2 (Non-Linear Model) : 0.3075

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6467 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4971 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5000

Biowin6 (MITI Non-Linear Model): 0.3868

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0267

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): 0.0248 Pa (0.000186 mm Hg)

Log Koa (Koawin est ): 8.391

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

Mackay model : 0.000121

Octanol/air (Koa) model: 6.04E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00435

Mackay model : 0.00958

Octanol/air (Koa) model: 0.00481

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 27.2539 E-12 cm3/molecule-sec

Half-Life = 0.392 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.709 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00697 (Junge-Pankow, Mackay avg)

0.00481 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1500 L/kg (MCI method)

Log Koc: 3.176 (MCI method)

Koc : 5270 L/kg (Kow method)

Log Koc: 3.722 (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 = 3.493 (BCF = 3113 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5046 days (HL = 3.196 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.055 (BCF = 1135)

Log BAF Arnot-Gobas method (upper trophic) = 3.173 (BAF = 1488)

log Kow used: 5.80 (estimated)

Volatilization from Water:

Henry LC: 0.000144 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 7.653 hours

Half-Life from Model Lake : 209.7 hours (8.736 days)

Removal In Wastewater Treatment:

Total removal: 91.13 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 90.14 percent

Total to Air: 0.23 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.573 9.42 1000

Water 13.3 900 1000

Soil 85.1 1.8e+003 1000

Sediment 1.08 8.1e+003 0

Persistence Time: 959 hr

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