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CAS Num: 039711-79-0


CHEM : Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-

MOL FOR: C13 H25 N1 O1

MOL WT : 211.35

------------------------------ 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) = 3.81

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

Boiling Pt (deg C): 340.75 (Adapted Stein & Brown method)

Melting Pt (deg C): 110.45 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.42E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00722 (Modified Grain method)

MP (exp database): 88 deg C

Subcooled liquid VP: 0.000218 mm Hg (25 deg C, Mod-Grain method)

: 0.0291 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 21.38

log Kow used: 3.81 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 345.63 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.84E-007 atm-m3/mole (1.87E-002 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: 7.050E-007 atm-m3/mole (7.143E-002 Pa-m3/mole)

VP: 5.42E-005 mm Hg (source: MPBPVP)

WS: 21.4 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.81 (KowWin est)

Log Kaw used: -5.124 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.934

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8571

Biowin2 (Non-Linear Model) : 0.9370

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6779 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7482 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3069

Biowin6 (MITI Non-Linear Model): 0.1233

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4316

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): 0.0291 Pa (0.000218 mm Hg)

Log Koa (Koawin est ): 8.934

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

Mackay model : 0.000103

Octanol/air (Koa) model: 0.000211

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00371

Mackay model : 0.00819

Octanol/air (Koa) model: 0.0166

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 36.2741 E-12 cm3/molecule-sec

Half-Life = 0.295 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.538 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00595 (Junge-Pankow, Mackay avg)

0.0166 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1093 L/kg (MCI method)

Log Koc: 3.039 (MCI method)

Koc : 1016 L/kg (Kow method)

Log Koc: 3.007 (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 = 2.180 (BCF = 151.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3638 days (HL = 0.4327 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.159 (BCF = 144.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.159 (BAF = 144.2)

log Kow used: 3.81 (estimated)

Volatilization from Water:

Henry LC: 1.84E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4627 hours (192.8 days)

Half-Life from Model Lake : 5.06E+004 hours (2108 days)

Removal In Wastewater Treatment:

Total removal: 22.21 percent

Total biodegradation: 0.26 percent

Total sludge adsorption: 21.94 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.239 7.08 1000

Water 17.1 900 1000

Soil 81.6 1.8e+003 1000

Sediment 1.04 8.1e+003 0

Persistence Time: 1.14e+003 hr

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