This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 28290-51-9
SMILES : CC1CCC23CCC4(C5(CCC6C(C5CCC4(C2C1C)OC3(=O))(CCC(C6(C)C)OC(=O)C)C)C)C
CHEM :
MOL FOR: C32 H50 O4
MOL WT : 498.75
------------------------------ 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) = 8.97
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 530.05 (Adapted Stein & Brown method)
Melting Pt (deg C): 226.64 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.25E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 4.33E-009 (Modified Grain method)
Subcooled liquid VP: 4.73E-009 mm Hg (25 deg C, Mod-Grain method)
: 6.3E-007 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.609e-005
log Kow used: 8.97 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.8445e-006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.44E-006 atm-m3/mole (6.53E-001 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: 1.326E-006 atm-m3/mole (1.343E-001 Pa-m3/mole)
VP: 3.25E-011 mm Hg (source: MPBPVP)
WS: 1.61E-005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.97 (KowWin est)
Log Kaw used: -3.580 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.550
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.2451
Biowin2 (Non-Linear Model) : 0.0019
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.1047 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.6654 (weeks-months)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5967
Biowin6 (MITI Non-Linear Model): 0.0551
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -2.4256
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): 6.31E-007 Pa (4.73E-009 mm Hg)
Log Koa (Koawin est ): 12.550
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.76
Octanol/air (Koa) model: 0.871
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.994
Mackay model : 0.997
Octanol/air (Koa) model: 0.986
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 35.4403 E-12 cm3/molecule-sec
Half-Life = 0.302 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.622 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.996 (Junge-Pankow, Mackay avg)
0.986 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.119E+006 L/kg (MCI method)
Log Koc: 6.709 (MCI method)
Koc : 5.695E+005 L/kg (Kow method)
Log Koc: 5.755 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.014E-002 L/mol-sec
Kb Half-Life at pH 8: 266.184 days
Kb Half-Life at pH 7: 7.288 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.161 (BCF = 1449 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.7848 days (HL = 60.93 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.052 (BCF = 112.6)
Log BAF Arnot-Gobas method (upper trophic) = 5.234 (BAF = 1.714e+005)
log Kow used: 8.97 (estimated)
Volatilization from Water:
Henry LC: 6.44E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 205.3 hours (8.555 days)
Half-Life from Model Lake : 2427 hours (101.1 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 0.0319 7.24 1000
Water 2.74 4.32e+003 1000
Soil 64.4 8.64e+003 1000
Sediment 32.8 3.89e+004 0
Persistence Time: 7.72e+003 hr