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: 14914-99-9
SMILES : C52(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C5CC(OC(=O)CCc1ccccc1)CC2
CHEM :
MOL FOR: C36 H54 O2
MOL WT : 518.83
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 11.94
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 538.20 (Adapted Stein & Brown method)
Melting Pt (deg C): 230.44 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.81E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 2.41E-009 (Modified Grain method)
Subcooled liquid VP: 2.93E-009 mm Hg (25 deg C, Mod-Grain method)
: 3.9E-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): 3.425e-008
log Kow used: 11.94 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.1883e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.17E-003 atm-m3/mole (1.18E+002 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: 3.608E-004 atm-m3/mole (3.655E+001 Pa-m3/mole)
VP: 1.81E-011 mm Hg (source: MPBPVP)
WS: 3.42E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 11.94 (KowWin est)
Log Kaw used: -1.320 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.260
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4896
Biowin2 (Non-Linear Model) : 0.2060
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.7158 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.9576 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0424
Biowin6 (MITI Non-Linear Model): 0.0029
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.5033
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): 3.91E-007 Pa (2.93E-009 mm Hg)
Log Koa (Koawin est ): 13.260
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.68
Octanol/air (Koa) model: 4.47
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.996
Mackay model : 0.998
Octanol/air (Koa) model: 0.997
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 129.9424 E-12 cm3/molecule-sec
Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.988 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Fraction sorbed to airborne particulates (phi):
0.997 (Junge-Pankow, Mackay avg)
0.997 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 6.197E+008 L/kg (MCI method)
Log Koc: 8.792 (MCI method)
Koc : 2.91E+007 L/kg (Kow method)
Log Koc: 7.464 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 4.171E-002 L/mol-sec
Kb Half-Life at pH 8: 192.346 days
Kb Half-Life at pH 7: 5.266 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.702 (BCF = 50.35 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.3226 days (HL = 210.2 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.084 (BCF = 1.213)
Log BAF Arnot-Gobas method (upper trophic) = 3.034 (BAF = 1081)
log Kow used: 11.94 (estimated)
Volatilization from Water:
Henry LC: 0.00117 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.464 hours
Half-Life from Model Lake : 228.8 hours (9.533 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 0.0113 1.29 1000
Water 5.34 4.32e+003 1000
Soil 85 8.64e+003 1000
Sediment 9.65 3.89e+004 0
Persistence Time: 5.11e+003 hr