The Good Scents Company Information Listings

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: 000432-25-7


CHEM : 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-

MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ 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) = 3.44

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 213.73 (Adapted Stein & Brown method)

Melting Pt (deg C): 19.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.181 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 24.1 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 86.14

log Kow used: 3.44 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1884.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Aldehydes

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.89E-004 atm-m3/mole (1.91E+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: 4.209E-004 atm-m3/mole (4.265E+001 Pa-m3/mole)

VP: 0.181 mm Hg (source: MPBPVP)

WS: 86.1 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 3.44 (KowWin est)

Log Kaw used: -2.112 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.552

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7758

Biowin2 (Non-Linear Model) : 0.9982

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6729 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6713 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7987

Biowin6 (MITI Non-Linear Model): 0.8851

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0257

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): 22.3 Pa (0.167 mm Hg)

Log Koa (Koawin est ): 5.552

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.35E-007

Octanol/air (Koa) model: 8.75E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.87E-006

Mackay model : 1.08E-005

Octanol/air (Koa) model: 7E-006

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 58.7235 E-12 cm3/molecule-sec

Half-Life = 0.182 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.186 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.183000 E-17 cm3/molecule-sec

Half-Life = 0.969 Days (at 7E11 mol/cm3)

Half-Life = 23.249 Hrs

Fraction sorbed to airborne particulates (phi):

7.82E-006 (Junge-Pankow, Mackay avg)

7E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 43.8 L/kg (MCI method)

Log Koc: 1.642 (MCI method)

Koc : 396.8 L/kg (Kow method)

Log Koc: 2.599 (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 = 1.935 (BCF = 86.02 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1009 days (HL = 1.262 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.272 (BCF = 187)

Log BAF Arnot-Gobas method (upper trophic) = 2.272 (BAF = 187.1)

log Kow used: 3.44 (estimated)

Volatilization from Water:

Henry LC: 0.000189 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.081 hours

Half-Life from Model Lake : 158.9 hours (6.62 days)

Removal In Wastewater Treatment:

Total removal: 18.78 percent

Total biodegradation: 0.16 percent

Total sludge adsorption: 11.10 percent

Total to Air: 7.52 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.777 3.68 1000

Water 32 900 1000

Soil 67.1 1.8e+003 1000

Sediment 0.128 8.1e+003 0

Persistence Time: 423 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy