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CAS Number:



MOL FOR: C29 H48

MOL WT : 396.71

------------------------------ 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) = 13.57

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

Boiling Pt (deg C): 444.46 (Adapted Stein & Brown method)

Melting Pt (deg C): 60.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.46E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000113 (Modified Grain method)

Subcooled liquid VP: 1.8E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.00024 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 2.382e-009

log Kow used: 13.57 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.1346e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 2.18E+002 atm-m3/mole (2.21E+007 Pa-m3/mole)

Group Method: 1.38E+000 atm-m3/mole (1.39E+005 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: 1.854E+002 atm-m3/mole (1.878E+007 Pa-m3/mole)

VP: 8.46E-007 mm Hg (source: MPBPVP)

WS: 2.38E-009 mg/L (source: WSKOWWIN)

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

Log Kow used: 13.57 (KowWin est)

Log Kaw used: 3.950 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.620

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5587

Biowin2 (Non-Linear Model) : 0.0676

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3225 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2754 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0723

Biowin6 (MITI Non-Linear Model): 0.0134

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0243

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.4291

BioHC Half-Life (days) : 2.6863

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

Vapor pressure (liquid/subcooled): 0.00024 Pa (1.8E-006 mm Hg)

Log Koa (Koawin est ): 9.620

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

Mackay model : 0.0125

Octanol/air (Koa) model: 0.00102

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.311

Mackay model : 0.5

Octanol/air (Koa) model: 0.0757

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 503.3402 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 510.9402 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 15.300 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 15.072 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 228.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 235.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 7.238 Min (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 7.022 Min (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.406 (Junge-Pankow, Mackay avg)

0.0757 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 6.275E+007 L/kg (MCI method)

Log Koc: 7.798 (MCI method)

Koc : 5.984E+011 L/kg (Kow method)

Log Koc: 11.777 (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 v3.01):

Log BCF from regression-based method = 0.903 (BCF = 7.991 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 4.2671 days (HL = 1.85e+004 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.038 (BCF = 0.9152)

Log BAF Arnot-Gobas method (upper trophic) = 2.053 (BAF = 113)

log Kow used: 13.57 (estimated)

Volatilization from Water:

Henry LC: 1.38 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.033 hours

Half-Life from Model Lake : 189.2 hours (7.883 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 0.00451 0.0976 1000

Water 18 900 1000

Soil 82 1.8e+003 1000

Sediment 0.0363 8.1e+003 0

Persistence Time: 1.05e+003 hr

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