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CAS Number: 195863-84-4


CHEM : 2-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,


MOL FOR: C14 H28 O3

MOL WT : 244.38

------------------------------ EPI SUMMARY (v4.00) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.92

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

Boiling Pt (deg C): 334.01 (Adapted Stein & Brown method)

Melting Pt (deg C): 92.97 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.64E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000219 (Modified Grain method)

Subcooled liquid VP: 7.46E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000994 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 81.61

log Kow used: 2.92 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 11784 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.52E-008 atm-m3/mole (1.54E-003 Pa-m3/mole)

Group Method: 1.34E-012 atm-m3/mole (1.36E-007 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: 6.462E-009 atm-m3/mole (6.547E-004 Pa-m3/mole)

VP: 1.64E-006 mm Hg (source: MPBPVP)

WS: 81.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.92 (KowWin est)

Log Kaw used: -6.207 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.127

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2586

Biowin2 (Non-Linear Model) : 0.0110

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5983 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4614 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3617

Biowin6 (MITI Non-Linear Model): 0.1115

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2965

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): 0.000995 Pa (7.46E-006 mm Hg)

Log Koa (Koawin est ): 9.127

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

Mackay model : 0.00302

Octanol/air (Koa) model: 0.000329

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0982

Mackay model : 0.194

Octanol/air (Koa) model: 0.0256

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 66.4451 E-12 cm3/molecule-sec

Half-Life = 0.161 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.932 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.146 (Junge-Pankow, Mackay avg)

0.0256 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 15.37 L/kg (MCI method)

Log Koc: 1.187 (MCI method)

Koc : 42.34 L/kg (Kow method)

Log Koc: 1.627 (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 = 1.593 (BCF = 39.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4855 days (HL = 0.3269 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.722 (BCF = 52.72)

Log BAF Arnot-Gobas method (upper trophic) = 1.722 (BAF = 52.72)

log Kow used: 2.92 (estimated)

Volatilization from Water:

Henry LC: 1.52E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 6.022E+004 hours (2509 days)

Half-Life from Model Lake : 6.57E+005 hours (2.738E+004 days)

Removal In Wastewater Treatment:

Total removal: 5.07 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 4.95 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.109 3.86 1000

Water 34.8 900 1000

Soil 65 1.8e+003 1000

Sediment 0.092 8.1e+003 0

Persistence Time: 933 hr

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