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CAS Number: 290305-83-8
SMILES : CCCCCCCC(=O)OCCCC1C(=C(C)C)CCC2C1(CCC3(C2(CCC3C(C)CCC=C(C)C)C)C)C
CHEM :
MOL FOR: C38 H66 O2
MOL WT : 554.95
------------------------------ 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) = 14.97
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 542.97 (Adapted Stein & Brown method)
Melting Pt (deg C): 232.36 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.29E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 1.72E-009 (Modified Grain method)
Subcooled liquid VP: 2.21E-009 mm Hg (25 deg C, Mod-Grain method)
: 2.94E-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): 5.226e-011
log Kow used: 14.97 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5.5495e-007 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.88E-001 atm-m3/mole (3.93E+004 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: 1.802E-001 atm-m3/mole (1.826E+004 Pa-m3/mole)
VP: 1.29E-011 mm Hg (source: MPBPVP)
WS: 5.23E-011 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 14.97 (KowWin est)
Log Kaw used: 1.200 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.770
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2142
Biowin2 (Non-Linear Model) : 0.0160
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.7750 (months )
Biowin4 (Primary Survey Model) : 3.0848 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2662
Biowin6 (MITI Non-Linear Model): 0.0181
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.5838
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): 2.95E-007 Pa (2.21E-009 mm Hg)
Log Koa (Koawin est ): 13.770
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 10.2
Octanol/air (Koa) model: 14.5
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.997
Mackay model : 0.999
Octanol/air (Koa) model: 0.999
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 231.6509 E-12 cm3/molecule-sec
Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.554 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 163.000000 E-17 cm3/molecule-sec
Half-Life = 0.007 Days (at 7E11 mol/cm3)
Half-Life = 10.124 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.998 (Junge-Pankow, Mackay avg)
0.999 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.435E+009 L/kg (MCI method)
Log Koc: 9.157 (MCI method)
Koc : 1.38E+009 L/kg (Kow method)
Log Koc: 9.140 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 5.317E-002 L/mol-sec
Kb Half-Life at pH 8: 150.863 days
Kb Half-Life at pH 7: 4.130 years
(Total Kb applies only to esters, carbmates, alkyl halides)
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) = 3.6609 days (HL = 4580 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8938)
Log BAF Arnot-Gobas method (upper trophic) = 0.705 (BAF = 5.072)
log Kow used: 14.97 (estimated)
Volatilization from Water:
Henry LC: 0.388 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.407 hours
Half-Life from Model Lake : 223.8 hours (9.325 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 0.00432 0.146 1000
Water 13.9 1.44e+003 1000
Soil 86 2.88e+003 1000
Sediment 0.0343 1.3e+004 0
Persistence Time: 1.62e+003 hr