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CAS Number: 184706-97-6



MOL FOR: C34 H66 O4

MOL WT : 538.90

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 14.01

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

Boiling Pt (deg C): 518.46 (Adapted Stein & Brown method)

Melting Pt (deg C): 135.21 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.28E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 9.71E-008 (Modified Grain method)

Subcooled liquid VP: 9.34E-009 mm Hg (25 deg C, Mod-Grain method)

: 1.24E-006 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 4.375e-010

log Kow used: 14.01 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.389e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 1.55E-003 atm-m3/mole (1.57E+002 Pa-m3/mole)

Group Method: 1.34E-003 atm-m3/mole (1.36E+002 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: 1.180E+000 atm-m3/mole (1.196E+005 Pa-m3/mole)

VP: 7.28E-010 mm Hg (source: MPBPVP)

WS: 4.37E-010 mg/L (source: WSKOWWIN)

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

Log Kow used: 14.01 (KowWin est)

Log Kaw used: -1.198 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.208

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.2731

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4820 (days-weeks )

Biowin4 (Primary Survey Model) : 4.6044 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9815

Biowin6 (MITI Non-Linear Model): 0.9481

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0654

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 1.25E-006 Pa (9.34E-009 mm Hg)

Log Koa (Koawin est ): 15.208

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

Mackay model : 2.41

Octanol/air (Koa) model: 396

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.989

Mackay model : 0.995

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 42.3079 E-12 cm3/molecule-sec

Half-Life = 0.253 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.034 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.992 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.832E+007 L/kg (MCI method)

Log Koc: 7.684 (MCI method)

Koc : 3.494E+008 L/kg (Kow method)

Log Koc: 8.543 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.105E-002 L/mol-sec

Kb Half-Life at pH 8: 258.316 days

Kb Half-Life at pH 7: 7.072 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.690 (BCF = 4.895 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.2287 days (HL = 16.93 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8933)

Log BAF Arnot-Gobas method (upper trophic) = 0.002 (BAF = 1.004)

log Kow used: 14.01 (estimated)

Volatilization from Water:

Henry LC: 0.00134 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.383 hours

Half-Life from Model Lake : 231.6 hours (9.648 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.686 6.07 1000

Water 24.9 208 1000

Soil 74.4 416 1000

Sediment 0.00429 1.87e+003 0

Persistence Time: 316 hr

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