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CAS Number: 544714-08-1


CHEM : [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 4-(dimethylamino)-4-oxo-


MOL FOR: C16 H29 N1 O3

MOL WT : 283.41

------------------------------ 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) = 3.56

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

Boiling Pt (deg C): 361.34 (Adapted Stein & Brown method)

Melting Pt (deg C): 110.72 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.02E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00136 (Modified Grain method)

Subcooled liquid VP: 7.09E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00945 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 13.96

log Kow used: 3.56 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 162.97 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:



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

Bond Method : 9.62E-010 atm-m3/mole (9.75E-005 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.725E-007 atm-m3/mole (2.761E-002 Pa-m3/mole)

VP: 1.02E-005 mm Hg (source: MPBPVP)

WS: 14 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.56 (KowWin est)

Log Kaw used: -7.405 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.965

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9969

Biowin2 (Non-Linear Model) : 0.9968

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6589 (weeks-months)

Biowin4 (Primary Survey Model) : 3.8732 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4861

Biowin6 (MITI Non-Linear Model): 0.2411

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3134

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): 0.00945 Pa (7.09E-005 mm Hg)

Log Koa (Koawin est ): 10.965

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

Mackay model : 0.000317

Octanol/air (Koa) model: 0.0226

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0113

Mackay model : 0.0248

Octanol/air (Koa) model: 0.644

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 36.4744 E-12 cm3/molecule-sec

Half-Life = 0.293 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.519 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.018 (Junge-Pankow, Mackay avg)

0.644 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 503.1 L/kg (MCI method)

Log Koc: 2.702 (MCI method)

Koc : 604.3 L/kg (Kow method)

Log Koc: 2.781 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.114E-002 L/mol-sec

Kb Half-Life at pH 8: 1.972 years

Kb Half-Life at pH 7: 19.724 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.016 (BCF = 103.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1161 days (HL = 0.07653 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.482 (BCF = 30.31)

Log BAF Arnot-Gobas method (upper trophic) = 1.482 (BAF = 30.31)

log Kow used: 3.56 (estimated)

Volatilization from Water:

Henry LC: 9.62E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.025E+006 hours (4.269E+004 days)

Half-Life from Model Lake : 1.118E+007 hours (4.657E+005 days)

Removal In Wastewater Treatment:

Total removal: 14.47 percent

Total biodegradation: 0.20 percent

Total sludge adsorption: 14.27 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 0.00722 7.04 1000

Water 12.7 900 1000

Soil 86.9 1.8e+003 1000

Sediment 0.353 8.1e+003 0

Persistence Time: 1.76e+003 hr

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