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CAS Number: 178900-23-7
SMILES : O=C(C)OCCOCCOCCOC(C)COC(C)COC(C)CC(C)CC(C)CC(C)CC(C)CC
CHEM : PROPYLENE GLYCOL ISOCETETH-3 ACETATE
MOL FOR: C30 H60 O7
MOL WT : 532.81
------------------------------ 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) = 6.84
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 487.94 (Adapted Stein & Brown method)
Melting Pt (deg C): 187.21 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.11E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 1.48E-007 (Modified Grain method)
Subcooled liquid VP: 5.53E-008 mm Hg (25 deg C, Mod-Grain method)
: 7.38E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0006403
log Kow used: 6.84 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.225 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.96E-011 atm-m3/mole (1.99E-006 Pa-m3/mole)
Group Method: 1.69E-014 atm-m3/mole (1.71E-009 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: 1.215E-006 atm-m3/mole (1.231E-001 Pa-m3/mole)
VP: 1.11E-009 mm Hg (source: MPBPVP)
WS: 0.00064 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.84 (KowWin est)
Log Kaw used: -9.096 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 15.936
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.0687
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.1186 (months )
Biowin4 (Primary Survey Model) : 3.2593 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.2305
Biowin6 (MITI Non-Linear Model): 0.0028
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.8176
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): 7.37E-006 Pa (5.53E-008 mm Hg)
Log Koa (Koawin est ): 15.936
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.407
Octanol/air (Koa) model: 2.12E+003
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.936
Mackay model : 0.97
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 114.4817 E-12 cm3/molecule-sec
Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.121 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.953 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.207E+004 L/kg (MCI method)
Log Koc: 4.082 (MCI method)
Koc : 1.549E+004 L/kg (Kow method)
Log Koc: 4.190 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.632E-001 L/mol-sec
Kb Half-Life at pH 8: 30.478 days
Kb Half-Life at pH 7: 304.777 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.803 (BCF = 634.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4278 days (HL = 0.3734 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.815 (BCF = 65.27)
Log BAF Arnot-Gobas method (upper trophic) = 1.833 (BAF = 68.15)
log Kow used: 6.84 (estimated)
Volatilization from Water:
Henry LC: 1.69E-014 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 7.997E+010 hours (3.332E+009 days)
Half-Life from Model Lake : 8.724E+011 hours (3.635E+010 days)
Removal In Wastewater Treatment:
Total removal: 93.76 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 92.98 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 1.61e-006 2.24 1000
Water 7.96 1.44e+003 1000
Soil 86.6 2.88e+003 1000
Sediment 5.47 1.3e+004 0
Persistence Time: 3.03e+003 hr