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: 9003-07-0
SMILES : CC(C)CC(C)CC(C)CC(C)CC(CC(C)CC(C)CC(CC(C)CC(C)CC(C)CCC)C)C
CHEM : 1-Propene, homopolymer
MOL FOR: C36 H74
MOL WT : 506.99
------------------------------ 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) = 17.21
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 443.14 (Adapted Stein & Brown method)
Melting Pt (deg C): 71.95 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.98E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 9.31E-005 (Modified Grain method)
Subcooled liquid VP: 1.94E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000258 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3.747e-013
log Kow used: 17.21 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.0699e-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 : 8.39E+003 atm-m3/mole (8.50E+008 Pa-m3/mole)
Group Method: 4.06E+005 atm-m3/mole (4.11E+010 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: 1.243E+006 atm-m3/mole (1.259E+011 Pa-m3/mole)
VP: 6.98E-007 mm Hg (source: MPBPVP)
WS: 3.75E-013 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 17.21 (KowWin est)
Log Kaw used: 5.535 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.675
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5062
Biowin2 (Non-Linear Model) : 0.0149
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.0788 (months )
Biowin4 (Primary Survey Model) : 3.1163 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.7552
Biowin6 (MITI Non-Linear Model): 0.0004
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.7108
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 3.2279
BioHC Half-Life (days) : 1690.2360
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.000259 Pa (1.94E-006 mm Hg)
Log Koa (Koawin est ): 11.675
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0116
Octanol/air (Koa) model: 0.116
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.295
Mackay model : 0.481
Octanol/air (Koa) model: 0.903
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 50.6034 E-12 cm3/molecule-sec
Half-Life = 0.211 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.536 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.388 (Junge-Pankow, Mackay avg)
0.903 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.042E+009 L/kg (MCI method)
Log Koc: 9.310 (MCI method)
Koc : 8.633E+014 L/kg (Kow method)
Log Koc: 14.936 (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 v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.8260 days (HL = 6699 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.037 (BAF = 0.9176)
log Kow used: 17.21 (estimated)
Volatilization from Water:
Henry LC: 8.39E+003 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.298 hours
Half-Life from Model Lake : 213.9 hours (8.911 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 0.625 5.07 1000
Water 36.6 1.44e+003 1000
Soil 62.8 2.88e+003 1000
Sediment 0.00074 1.3e+004 0
Persistence Time: 621 hr