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 Num: 000294-62-2
SMILES : C(CCCCCCCCCC1)C1
CHEM : Cyclododecane
MOL FOR: C12 H24
MOL WT : 168.33
------------------------------ 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) = 6.12
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 230.21 (Adapted Stein & Brown method)
Melting Pt (deg C): -18.45 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0234 (Modified Grain method)
VP (Pa, 25 deg C) : 3.12 (Modified Grain method)
MP (exp database): 60.4 deg C
BP (exp database): 247 deg C
Subcooled liquid VP: 0.05 mm Hg (25 deg C, Mod-Grain method)
: 6.66 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.1075
log Kow used: 6.12 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.0094 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.40E+000 atm-m3/mole (1.42E+005 Pa-m3/mole)
Group Method: 1.54E+000 atm-m3/mole (1.56E+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: 4.821E-002 atm-m3/mole (4.885E+003 Pa-m3/mole)
VP: 0.0234 mm Hg (source: MPBPVP)
WS: 0.108 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.12 (KowWin est)
Log Kaw used: 1.758 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.362
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6674
Biowin2 (Non-Linear Model) : 0.6499
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8272 (weeks )
Biowin4 (Primary Survey Model) : 3.6049 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4481
Biowin6 (MITI Non-Linear Model): 0.6235
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6041
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.2760
BioHC Half-Life (days) : 188.7881
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 6.67 Pa (0.05 mm Hg)
Log Koa (Koawin est ): 4.362
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.5E-007
Octanol/air (Koa) model: 5.65E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.63E-005
Mackay model : 3.6E-005
Octanol/air (Koa) model: 4.52E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 16.9566 E-12 cm3/molecule-sec
Half-Life = 0.631 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.569 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.61E-005 (Junge-Pankow, Mackay avg)
4.52E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5341 L/kg (MCI method)
Log Koc: 3.728 (MCI method)
Koc : 2.047E+005 L/kg (Kow method)
Log Koc: 5.311 (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 = 3.706 (BCF = 5087 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0679 days (HL = 11.69 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.727 (BCF = 5329)
Log BAF Arnot-Gobas method (upper trophic) = 4.948 (BAF = 8.879e+004)
log Kow used: 6.12 (estimated)
Volatilization from Water:
Henry LC: 1.4 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.324 hours
Half-Life from Model Lake : 123.2 hours (5.135 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.63 percent
Total biodegradation: 0.20 percent
Total sludge adsorption: 60.42 percent
Total to Air: 39.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 15.2 15.1 1000
Water 66.2 360 1000
Soil 8.4 720 1000
Sediment 10.2 3.24e+003 0
Persistence Time: 95.2 hr