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CAS Number: 67860-04-2
SMILES : O(C1CCCCCCCCCCCCCCCCC)C1
CHEM : Oxirane, heptadecyl-
MOL FOR: C19 H38 O1
MOL WT : 282.51
------------------------------ 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) = 8.23
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 339.36 (Adapted Stein & Brown method)
Melting Pt (deg C): 79.87 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000143 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0191 (Modified Grain method)
Subcooled liquid VP: 0.000478 mm Hg (25 deg C, Mod-Grain method)
: 0.0637 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.001452
log Kow used: 8.23 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0015919 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Epoxides, mono
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.49E-002 atm-m3/mole (1.50E+003 Pa-m3/mole)
Group Method: 3.08E-002 atm-m3/mole (3.12E+003 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: 3.661E-002 atm-m3/mole (3.709E+003 Pa-m3/mole)
VP: 0.000143 mm Hg (source: MPBPVP)
WS: 0.00145 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 8.23 (KowWin est)
Log Kaw used: -0.215 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.445
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3741
Biowin2 (Non-Linear Model) : 0.0699
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8645 (weeks )
Biowin4 (Primary Survey Model) : 3.6995 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6964
Biowin6 (MITI Non-Linear Model): 0.7792
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5168
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0637 Pa (0.000478 mm Hg)
Log Koa (Koawin est ): 8.445
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.71E-005
Octanol/air (Koa) model: 6.84E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0017
Mackay model : 0.00375
Octanol/air (Koa) model: 0.00544
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 23.0101 E-12 cm3/molecule-sec
Half-Life = 0.465 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.578 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00272 (Junge-Pankow, Mackay avg)
0.00544 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8.048E+004 L/kg (MCI method)
Log Koc: 4.906 (MCI method)
Koc : 2.436E+005 L/kg (Kow method)
Log Koc: 5.387 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 1.232E-001 L/mol-sec
Ka Half-Life at pH 7: 1.783 years
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.925 (BCF = 841.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0197 days (HL = 10.46 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.061 (BCF = 115)
Log BAF Arnot-Gobas method (upper trophic) = 4.185 (BAF = 1.532e+004)
log Kow used: 8.23 (estimated)
Volatilization from Water:
Henry LC: 0.0149 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.781 hours
Half-Life from Model Lake : 160.4 hours (6.682 days)
Removal In Wastewater Treatment:
Total removal: 94.03 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.19 percent
Total to Air: 0.07 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.09 11.2 1000
Water 21.9 360 1000
Soil 71.5 720 1000
Sediment 5.44 3.24e+003 0
Persistence Time: 469 hr