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CAS Number: 406179-71-3


CHEM : bis(5-methyl-2-propan-2-ylcyclohexyl) pentanedioate

MOL FOR: C25 H44 O4

MOL WT : 408.63

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

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 8.92

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

Boiling Pt (deg C): 410.90 (Adapted Stein & Brown method)

Melting Pt (deg C): 38.39 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.42E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000455 (Modified Grain method)

Subcooled liquid VP: 4.51E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000601 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 6.492e-005

log Kow used: 8.92 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0018204 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.35E-005 atm-m3/mole (2.38E+000 Pa-m3/mole)

Group Method: 4.55E-006 atm-m3/mole (4.62E-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: 2.832E-002 atm-m3/mole (2.870E+003 Pa-m3/mole)

VP: 3.42E-006 mm Hg (source: MPBPVP)

WS: 6.49E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.92 (KowWin est)

Log Kaw used: -3.017 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.937

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9014

Biowin2 (Non-Linear Model) : 0.9953

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5766 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7161 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4263

Biowin6 (MITI Non-Linear Model): 0.0737

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0348

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): 0.000601 Pa (4.51E-006 mm Hg)

Log Koa (Koawin est ): 11.937

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

Mackay model : 0.00499

Octanol/air (Koa) model: 0.212

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.153

Mackay model : 0.285

Octanol/air (Koa) model: 0.944

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 38.8620 E-12 cm3/molecule-sec

Half-Life = 0.275 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.303 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.219 (Junge-Pankow, Mackay avg)

0.944 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.351E+005 L/kg (MCI method)

Log Koc: 5.131 (MCI method)

Koc : 5.344E+005 L/kg (Kow method)

Log Koc: 5.728 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.126E-002 L/mol-sec

Kb Half-Life at pH 8: 256.656 days

Kb Half-Life at pH 7: 7.027 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.182 (BCF = 1520 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.4503 days (HL = 2.82 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.876 (BCF = 7.508)

Log BAF Arnot-Gobas method (upper trophic) = 2.032 (BAF = 107.5)

log Kow used: 8.92 (estimated)

Volatilization from Water:

Henry LC: 4.55E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 262.2 hours (10.92 days)

Half-Life from Model Lake : 3030 hours (126.2 days)

Removal In Wastewater Treatment:

Total removal: 94.03 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 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 0.245 6.6 1000

Water 16.7 900 1000

Soil 79.9 1.8e+003 1000

Sediment 3.14 8.1e+003 0

Persistence Time: 1.13e+003 hr

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