SMILES : CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CHEM : Candelilla wax
CAS NUM: 008006-44-8
MOL FOR: C31 H64
MOL WT : 436.86
------------------------------ EPI SUMMARY (v3.20) --------------------------
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 v1.42):
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)
MP (exp database): 67.9 deg C
BP (exp database): 458 deg C
VP (exp database): 1.40E-11 mm Hg at 25 deg C
Subcooled liquid VP: 3.72E-011 mm Hg (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 v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.04E+003 atm-m3/mole
Group Method: 9.52E+003 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 7.350E+003 atm-m3/mole
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,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 6.597E+008
Log Koc: 8.819
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
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: 6.107 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 0.216 6.3 1000
Water 3.72 360 1000
Soil 28.3 720 1000
Sediment 67.7 3.24e+003 0
Persistence Time: 1.25e+003 hr