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 Number: 137886-38-5
SMILES : CC(=C)C1CCC(CC1)C=O
CHEM : 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
MOL FOR: C10 H16 O1
MOL WT : 152.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.42
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 212.39 (Adapted Stein & Brown method)
Melting Pt (deg C): -15.46 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.193 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 25.8 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 88.46
log Kow used: 3.42 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 983.77 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aldehydes (Mono)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.54E-004 atm-m3/mole (2.57E+001 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 4.370E-004 atm-m3/mole (4.428E+001 Pa-m3/mole)
VP: 0.193 mm Hg (source: MPBPVP)
WS: 88.5 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.42 (KowWin est)
Log Kaw used: -1.984 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.404
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9597
Biowin2 (Non-Linear Model) : 0.9997
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8851 (weeks )
Biowin4 (Primary Survey Model) : 3.8247 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7872
Biowin6 (MITI Non-Linear Model): 0.8373
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3309
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 23.9 Pa (0.179 mm Hg)
Log Koa (Koawin est ): 5.404
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.26E-007
Octanol/air (Koa) model: 6.22E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.54E-006
Mackay model : 1.01E-005
Octanol/air (Koa) model: 4.98E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 89.2191 E-12 cm3/molecule-sec
Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.439 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
7.3E-006 (Junge-Pankow, Mackay avg)
4.98E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 53.07 L/kg (MCI method)
Log Koc: 1.725 (MCI method)
Koc : 386.8 L/kg (Kow method)
Log Koc: 2.588 (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 = 1.926 (BCF = 84.27 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2242 days (HL = 1.676 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.302 (BCF = 200.6)
Log BAF Arnot-Gobas method (upper trophic) = 2.302 (BAF = 200.7)
log Kow used: 3.42 (estimated)
Volatilization from Water:
Henry LC: 0.000254 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.103 hours
Half-Life from Model Lake : 148.2 hours (6.176 days)
Removal In Wastewater Treatment:
Total removal: 20.37 percent
Total biodegradation: 0.16 percent
Total sludge adsorption: 10.60 percent
Total to Air: 9.62 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.742 2.56 1000
Water 31.7 360 1000
Soil 67.5 720 1000
Sediment 0.127 3.24e+003 0
Persistence Time: 273 hr