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CAS Num: 000295-17-0
SMILES : C(CCCCCCC1)CCCCCC1
CHEM : CYCLOTETRADECANE
MOL FOR: C14 H28
MOL WT : 196.38
------------------------------ 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) = 7.10
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 268.42 (Adapted Stein & Brown method)
Melting Pt (deg C): 0.46 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0171 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.28 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.01136
log Kow used: 7.10 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.25664 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.46E+000 atm-m3/mole (2.49E+005 Pa-m3/mole)
Group Method: 3.08E+000 atm-m3/mole (3.12E+005 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: 3.890E-001 atm-m3/mole (3.941E+004 Pa-m3/mole)
VP: 0.0171 mm Hg (source: MPBPVP)
WS: 0.0114 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 7.10 (KowWin est)
Log Kaw used: 2.002 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.098
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6541
Biowin2 (Non-Linear Model) : 0.5548
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7652 (weeks )
Biowin4 (Primary Survey Model) : 3.5644 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4041
Biowin6 (MITI Non-Linear Model): 0.5418
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8441
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.4535
BioHC Half-Life (days) : 284.1283
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 2.32 Pa (0.0174 mm Hg)
Log Koa (Koawin est ): 5.098
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.29E-006
Octanol/air (Koa) model: 3.08E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.67E-005
Mackay model : 0.000103
Octanol/air (Koa) model: 2.46E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 19.7827 E-12 cm3/molecule-sec
Half-Life = 0.541 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.488 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.51E-005 (Junge-Pankow, Mackay avg)
2.46E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.774E+004 L/kg (MCI method)
Log Koc: 4.249 (MCI method)
Koc : 1.451E+006 L/kg (Kow method)
Log Koc: 6.162 (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 = 4.073 (BCF = 1.183e+004 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.4903 days (HL = 30.93 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.424 (BCF = 2653)
Log BAF Arnot-Gobas method (upper trophic) = 5.704 (BAF = 5.059e+005)
log Kow used: 7.10 (estimated)
Volatilization from Water:
Henry LC: 2.46 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.43 hours
Half-Life from Model Lake : 133.1 hours (5.546 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.67 percent
Total biodegradation: 0.31 percent
Total sludge adsorption: 67.00 percent
Total to Air: 31.37 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 9.73 13 1000
Water 59.6 360 1000
Soil 11.5 720 1000
Sediment 19.1 3.24e+003 0
Persistence Time: 124 hr