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: 90498-90-1
SMILES : Cc1cc(cc(c1O)C(C)(C)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=
O)CCc4cc(c(c(c4)C)O)C(C)(C)C
CHEM :
MOL FOR: C43 H64 O10
MOL WT : 740.98
------------------------------ EPI SUMMARY (v4.11) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 10.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 747.95 (Adapted Stein & Brown method)
Melting Pt (deg C): 328.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.03E-021 (Modified Grain method)
VP (Pa, 25 deg C) : 8.05E-019 (Modified Grain method)
Subcooled liquid VP: 1.63E-017 mm Hg (25 deg C, Mod-Grain method)
: 2.18E-015 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 9.044e-008
log Kow used: 10.42 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.118e-005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Phenols, Poly
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.31E-022 atm-m3/mole (1.33E-017 Pa-m3/mole)
Group Method: 3.01E-026 atm-m3/mole (3.05E-021 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: 6.501E-014 atm-m3/mole (6.587E-009 Pa-m3/mole)
VP: 6.03E-021 mm Hg (source: MPBPVP)
WS: 9.04E-008 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.42 (KowWin est)
Log Kaw used: -20.271 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 30.691
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.1156
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 0.5602 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.2357 (months )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0224
Biowin6 (MITI Non-Linear Model): 0.0003
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -3.8207
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): 2.17E-015 Pa (1.63E-017 mm Hg)
Log Koa (Koawin est ): 30.691
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.38E+009
Octanol/air (Koa) model: 1.21E+018
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 92.7772 E-12 cm3/molecule-sec
Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.383 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.141E+007 L/kg (MCI method)
Log Koc: 7.057 (MCI method)
Koc : 3.379E+006 L/kg (Kow method)
Log Koc: 6.529 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 5.320E-002 L/mol-sec
Kb Half-Life at pH 8: 150.783 days
Kb Half-Life at pH 7: 4.128 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.228 (BCF = 169.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5605 days (HL = 0.2751 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.039 (BCF = 0.914)
Log BAF Arnot-Gobas method (upper trophic) = -0.037 (BAF = 0.9175)
log Kow used: 10.42 (estimated)
Volatilization from Water:
Henry LC: 1.31E-022 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.217E+019 hours (5.069E+017 days)
Half-Life from Model Lake : 1.327E+020 hours (5.53E+018 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 3.12e-005 2.77 1000
Water 3.58 4.32e+003 1000
Soil 92.4 8.64e+003 1000
Sediment 3.98 3.89e+004 0
Persistence Time: 8.52e+003 hr