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: 034764-02-8
SMILES : O(CC)C(OCC)CCCCCCCCC
CHEM : Decane, 1,1-diethoxy-
MOL FOR: C14 H30 O2
MOL WT : 230.39
------------------------------ 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) = 5.13
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 268.53 (Adapted Stein & Brown method)
Melting Pt (deg C): 23.49 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.017 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.27 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.25
log Kow used: 5.13 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.5709 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-003 atm-m3/mole (1.16E+002 Pa-m3/mole)
Group Method: 1.58E-003 atm-m3/mole (1.60E+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: 4.123E-003 atm-m3/mole (4.177E+002 Pa-m3/mole)
VP: 0.017 mm Hg (source: MPBPVP)
WS: 1.25 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.13 (KowWin est)
Log Kaw used: -1.332 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.462
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0516
Biowin2 (Non-Linear Model) : 0.0051
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9710 (weeks )
Biowin4 (Primary Survey Model) : 3.7649 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4744
Biowin6 (MITI Non-Linear Model): 0.4784
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1408
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): 2.31 Pa (0.0173 mm Hg)
Log Koa (Koawin est ): 6.462
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.3E-006
Octanol/air (Koa) model: 7.11E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.7E-005
Mackay model : 0.000104
Octanol/air (Koa) model: 5.69E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 32.2877 E-12 cm3/molecule-sec
Half-Life = 0.331 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.975 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.55E-005 (Junge-Pankow, Mackay avg)
5.69E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 884.6 L/kg (MCI method)
Log Koc: 2.947 (MCI method)
Koc : 3815 L/kg (Kow method)
Log Koc: 3.581 (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 = 1.680 (BCF = 47.85 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2235 days (HL = 1.673 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.813 (BCF = 650)
Log BAF Arnot-Gobas method (upper trophic) = 2.821 (BAF = 662.8)
log Kow used: 5.13 (estimated)
Volatilization from Water:
Henry LC: 0.00114 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.328 hours
Half-Life from Model Lake : 152.7 hours (6.361 days)
Removal In Wastewater Treatment:
Total removal: 83.48 percent
Total biodegradation: 0.64 percent
Total sludge adsorption: 77.30 percent
Total to Air: 5.53 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.54 7.95 1000
Water 19.1 360 1000
Soil 78.8 720 1000
Sediment 0.603 3.24e+003 0
Persistence Time: 355 hr