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CAS Num: 008006-44-8
SMILES : CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CHEM : Candelilla wax
MOL FOR: C31 H64
MOL WT : 436.86
------------------------------ 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) = 15.57
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 462.06 (Adapted Stein & Brown method)
Melting Pt (deg C): 161.05 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.41E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 4.54E-005 (Modified Grain method)
MP (exp database): 67.9 deg C
BP (exp database): 458 deg C
VP (exp database): 1.40E-11 mm Hg (1.87E-009 Pa) at 25 deg C
Subcooled liquid VP: 3.72E-011 mm Hg (25 deg C, exp database VP )
: 4.96E-009 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.667e-011
log Kow used: 15.57 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.3686e-007 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.04E+003 atm-m3/mole (2.06E+008 Pa-m3/mole)
Group Method: 9.52E+003 atm-m3/mole (9.64E+008 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: 7.350E+003 atm-m3/mole (7.447E+008 Pa-m3/mole)
VP: 3.41E-007 mm Hg (source: MPBPVP)
WS: 2.67E-011 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 15.57 (KowWin est)
Log Kaw used: 4.921 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.649
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7564
Biowin2 (Non-Linear Model) : 0.6208
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8305 (weeks )
Biowin4 (Primary Survey Model) : 3.7556 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8464
Biowin6 (MITI Non-Linear Model): 0.9175
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7952
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 2.3993
BioHC Half-Life (days) : 250.8067
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 4.96E-009 Pa (3.72E-011 mm Hg)
Log Koa (Koawin est ): 10.649
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 605
Octanol/air (Koa) model: 0.0109
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 0.467
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 40.7845 E-12 cm3/molecule-sec
Half-Life = 0.262 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.147 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
0.467 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4.317E+008 L/kg (MCI method)
Log Koc: 8.635 (MCI method)
Koc : 3.257E+013 L/kg (Kow method)
Log Koc: 13.513 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.3865 days (HL = 2435 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
Log BAF Arnot-Gobas method (upper trophic) = 0.269 (BAF = 1.856)
log Kow used: 15.57 (estimated)
Volatilization from Water:
Henry LC: 2.04E+003 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.133 hours
Half-Life from Model Lake : 198.5 hours (8.272 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 1.27 6.3 1000
Water 36.4 360 1000
Soil 62.3 720 1000
Sediment 0.0025 3.24e+003 0
Persistence Time: 314 hr