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CAS Num: 037514-30-0
SMILES : O(C(CCCCCCCCCC1)(C1)C)C
CHEM : Cyclododecane, 1-methoxy-1-methyl-
MOL FOR: C14 H28 O1
MOL WT : 212.38
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 5.74
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 269.05 (Adapted Stein & Brown method)
Melting Pt (deg C): 25.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0168 (Modified Grain method)
VP (Pa, 25 deg C) : 2.25 (Modified Grain method)
Subcooled liquid VP: 0.0169 mm Hg (25 deg C, Mod-Grain method)
: 2.25 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.4763
log Kow used: 5.74 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 98.139 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.14E-002 atm-m3/mole (1.15E+003 Pa-m3/mole)
Group Method: 3.70E-003 atm-m3/mole (3.75E+002 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: 9.857E-003 atm-m3/mole (9.987E+002 Pa-m3/mole)
VP: 0.0168 mm Hg (source: MPBPVP)
WS: 0.476 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.74 (KowWin est)
Log Kaw used: -0.332 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.072
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1151
Biowin2 (Non-Linear Model) : 0.0057
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5091 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3781 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3672
Biowin6 (MITI Non-Linear Model): 0.3378
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.2347
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): 2.25 Pa (0.0169 mm Hg)
Log Koa (Koawin est ): 6.072
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.33E-006
Octanol/air (Koa) model: 2.9E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.81E-005
Mackay model : 0.000106
Octanol/air (Koa) model: 2.32E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 22.0648 E-12 cm3/molecule-sec
Half-Life = 0.485 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.817 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.73E-005 (Junge-Pankow, Mackay avg)
2.32E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3288 L/kg (MCI method)
Log Koc: 3.517 (MCI method)
Koc : 1.022E+004 L/kg (Kow method)
Log Koc: 4.009 (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 v3.00):
Log BCF from regression-based method = 3.452 (BCF = 2832 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9088 days (HL = 8.105 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.426 (BCF = 2665)
Log BAF Arnot-Gobas method (upper trophic) = 3.814 (BAF = 6510)
log Kow used: 5.74 (estimated)
Volatilization from Water:
Henry LC: 0.0037 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.718 hours
Half-Life from Model Lake : 140.9 hours (5.872 days)
Removal In Wastewater Treatment:
Total removal: 91.64 percent
Total biodegradation: 0.70 percent
Total sludge adsorption: 86.42 percent
Total to Air: 4.52 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.33 11.6 1000
Water 12.1 900 1000
Soil 84.3 1.8e+003 1000
Sediment 2.22 8.1e+003 0
Persistence Time: 683 hr