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CAS Num: 068917-78-2
CHEM : Resins, oleo-, paprika
MOL FOR: C40 H56
MOL WT : 536.89
------------------------------ 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) = 17.62
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 583.14 (Adapted Stein & Brown method)
Melting Pt (deg C): 237.47 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.79E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 2.38E-009 (Modified Grain method)
MP (exp database): 183 deg C
Subcooled liquid VP: 7.94E-010 mm Hg (25 deg C, Mod-Grain method)
: 1.06E-007 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.072e-013
log Kow used: 17.62 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 0.6 mg/L ( deg C)
Exper. Ref: GREEN,FJ (1991)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.3689e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.07E+002 atm-m3/mole (1.08E+007 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: 1.180E+002 atm-m3/mole (1.195E+007 Pa-m3/mole)
VP: 1.79E-011 mm Hg (source: MPBPVP)
WS: 1.07E-013 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 17.62 (KowWin est)
Log Kaw used: 3.641 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.979
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1241
Biowin2 (Non-Linear Model) : 0.0003
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.5885 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.7663 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.5408
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -2.3775
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.3097
BioHC Half-Life (days) : 20.4023
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.06E-007 Pa (7.94E-010 mm Hg)
Log Koa (Koawin est ): 13.979
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 28.3
Octanol/air (Koa) model: 23.4
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.999
Mackay model : 1
Octanol/air (Koa) model: 0.999
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 735.7600 E-12 cm3/molecule-sec
Half-Life = 0.015 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.467 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 57.411247 E-17 cm3/molecule-sec
Half-Life = 0.020 Days (at 7E11 mol/cm3)
Half-Life = 28.744 Min
Fraction sorbed to airborne particulates (phi):
0.999 (Junge-Pankow, Mackay avg)
0.999 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1E+010 L/kg (MCI method)
Log Koc: 10.408 (MCI method)
Koc : 1.959E+015 L/kg (Kow method)
Log Koc: 15.292 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 6.3180 days (HL = 2.08e+006 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.044 (BAF = 0.9033)
log Kow used: 17.62 (estimated)
Volatilization from Water:
Henry LC: 107 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.364 hours
Half-Life from Model Lake : 220.1 hours (9.17 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 0.00224 0.202 1000
Water 6.57 4.32e+003 1000
Soil 93.4 8.64e+003 1000
Sediment 0.000409 3.89e+004 0
Persistence Time: 4.38e+003 hr